SCHEMBL5394337

SCHEMBL5394337

C=Cn1cc[n+](C)c1.CS(=O)(=O)[O-]

nearest known ligand 0.37

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.30
NT5E P21589 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Sulfuric Acid SCHEMBL2187601 0.94 ALDH1A1 (0.38) ALDH1A1GAAPOLBLMNATP53
Sulfuric Acid SCHEMBL10349556 0.91 ALDH1A1 (0.40) ALDH1A1GAAPOLBLMNATP53
SCHEMBL539055 0.88 ALDH1A1 (0.35) ALDH1A1GAAPOLBLMNATP53
SCHEMBL11443530 0.86 ALDH1A1 (0.34) ALDH1A1GAAPOLB
Hydrochloric Acid SCHEMBL6682965 0.86 ALDH1A1 (0.34) ALDH1A1GAAPOLB
SCHEMBL184995 0.86
Hydrochloric Acid SCHEMBL28548786 0.84
Bromide SCHEMBL8849636 0.84
Iodide SCHEMBL1495118 0.84
Water SCHEMBL31648030 0.84

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176255-B2 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAFT (DE) 2007-02-13 US disclosed
EP-1448686-A4 STABILIZED IMAGEABLE COATING COMPOSITION AND PRINTING PLATE PRECURSOR KODAK POLYCHROME GRAPHICS LLC (US) 2005-08-31 EP disclosed
US-20050075453-A1 Method for producing aqueous polymer dispersions containing colorants BASF AKTIENGESELLSCHAF (DE) 2005-04-07 US disclosed
US-6832554-B2 applying to cylinder, imageable coating comprising copolymer of methyl methacrylate, trimethylammoniummethyl methacrylic chloride, and N-(3-aminopropyl)methacrylamide hydrochloride, which changes affinity for printing fluid upon infrared exposure KODAK POLYCHROME GRAPHICS LLC 2004-12-21 US disclosed
EP-1448686-A1 STABILIZED IMAGEABLE COATING COMPOSITION AND PRINTING PLATE PRECURSOR Kodak Polychrome Graphics LLC (US) 2004-08-25 EP disclosed
US-6762223-B2 CARBON PIGMENT DISPERSIBLE IN WATER; POLYMER COMPRISING AT LEAST ONE IONOMERIC POLYMER SUBUNIT; AND AT LEAST ONE HIGH MOLECULAR WEIGHT THICKENING AGENT WHICH SHOWS PSEUDOPLASTIC BEHAVIOR. KODAK POLYCHROME GRAPHICS LLC 2004-07-13 US disclosed
US-20040103801-A1 System for direct-to-press imaging KODAK POLYCHROME GRAPHICS, LLC 2004-06-03 US disclosed
US-6727318-B1 EMULSION POLYMERIZATION OF ETHYLENICALLY UNSATURATED AND DYE-COMPRISING MONOMERS IN PRESENCE OF FREE-RADICAL INITIATORS BASF AKTIENGESELLSCHAFT (DE) 2004-04-27 US disclosed
US-6610458-B2 Applying coating to printing cylinder which changes affinity for printing fluid upon exposure to radiation; lithography KODAK POLYCHROME GRAPHICS LLC 2003-08-26 US disclosed
US-20030134936-A1 Carbon pigment dispersible in water; polymer comprising at least one ionomeric polymer subunit; and at least one high molecular weight thickening agent which shows pseudoplastic behavior. EASTMAN KODAK COMPANY 2003-07-17 US disclosed
EP-0990517-B1 Processless direct write printing plate having heat sensitive positively-charged polymers and methods of imaging and printing KODAK POLYCHROME GRAPHICS LLC (US) 2003-05-14 EP disclosed
WO-2003037972-A1 STABILIZED IMAGEABLE COATING COMPOSITION AND PRINTING PLATE PRECURSOR KODAK POLYCHROME GRAPHICS LLC (US) 2003-05-08 WO disclosed
US-20030056669-A1 Method and system for direct-to-press imaging KODAK (NEAR EAST) INC. 2003-03-27 US disclosed
US-6537730-B1 Heat-sensitive hydrophilic polymer having ionic moieties and an infrared radiation sensitive dye having multiple sulfo groups KODAK POLYCHROME GRAPHICS LLC 2003-03-25 US disclosed
US-6423469-B1 IONOMER COMPRISING UNSATURATED COMONOMERS OF QUATERNIZED N-ALKYLATED AROMATIC HETEROCYCLIC, ORGANOONIUM, AND THIOSULFATE COMPOUNDS; LITHOGRAPHY EASTMAN KODAK COMPANY 2002-07-23 US disclosed
US-6410202-B1 HYDROPHILIC HEAT SENSITIVE ELEMENTS EASTMAN KODAK COMPANY 2002-06-25 US disclosed
US-6399268-B1 Processless direct write imaging member containing polymer grafted carbon and methods of imaging and printing KODAK POLYCHROME GRAPHICS LLC 2002-06-04 US disclosed
US-6190831-B1 HEAT-SENSITIVE POLYMER HAS RECURRING UNITS CONTAINING AN N-ALKYLATED AROMATIC HETEROCYCLIC GROUP OR AN ORGANOONIUM GROUP THAT REACTS TO PROVIDE INCREASED OLEOPHILICITY KODAK POLYCHROME GRAPHICS LLC 2001-02-20 US disclosed
US-6159657-A Thermal imaging composition and member containing sulfonated ir dye and methods of imaging and printing EASTMAN KODAK COMPANY (US) 2000-12-12 US disclosed
EP-0990517-A2 Processless direct write printing plate having heat sensitive positively-charged polymers and methods of imaging and printing Kodak Polychrome Graphics LLC (US) 2000-04-05 EP disclosed