SCHEMBL2913208

SCHEMBL2913208

C[n+]1ccn(CCO)c1.Cc1ccc(S(=O)(=O)[O-])cc1

nearest known ligand 0.45

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 2/20 0.37
APAF1 O14727 1/20 0.37
NPC1 O15118 1/20 0.37
PLA2G1B P04054 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
TERT O14746 1/20 0.37
LMNA P02545 3/20 0.37
FDPS P14324 2/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL2230708 0.85 HTT (0.52) HTTSMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL16934931 0.85 HTT (0.42) HTTSMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL52073 0.85 HTT (0.42) HTTSMN1; SMN2MAPTKMT2AMAPK1
Lithium SCHEMBL30985259 0.84 HTT (0.51) HTTSMN1; SMN2MAPTKMT2AMAPK1
Sulfuric Acid SCHEMBL17273281 0.84 SMN1; SMN2 (0.46) HTTSMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL34808 0.84 HTT (0.42) HTTSMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL2513610 0.83 HTT (0.61) HTTSMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL14720371 0.83 HTT (0.61) HTTSMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL7195915 0.83 HTT (0.61) HTTSMN1; SMN2MAPTKMT2AMAPK1
Sulfuric Acid SCHEMBL2917936 0.82 SMN1; SMN2 (0.45) HTTSMN1; SMN2MAPTKMT2AMAPK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112086564-A Passivating agent and passivation method thereof and method for preparing semiconductor film 杭州纤纳光电科技有限公司 2020-12-15 CN disclosed
CN-111435705-A Repairing agent and repairing method thereof and method for preparing photoelectric film 杭州纤纳光电科技有限公司 2020-07-21 CN disclosed
US-8362095-B2 Defoaming of ionic liquids EVONIK GOLDSCHMIDT GMBH (DE) 2013-01-29 US disclosed
EP-2223904-A2 Method for producing antistatic artificial stones for area-measured material Evonik Goldschmidt GmbH (DE) 2010-09-01 EP disclosed
US-20100192814-A1 PROCESS FOR PRODUCING ANTISTATICALLY TREATED ARTIFICIAL STONE FOR FLAT STRUCTURES EVONIK GOLDSCHMIDT GMBH (DE) 2010-08-05 US disclosed
US-20100084597-A1 DEFOAMING OF IONIC LIQUIDS EVONIK DEGUSSA GMBH (DE) 2010-04-08 US disclosed
US-20100029519-A1 PERFORMANCE ADDITIVES FOR IMPROVING THE WETTING PROPERTIES OF IONIC LIQUIDS ON SOLID SURFACES EVONIK DEGUSSA GMBH (DE) 2010-02-04 US disclosed
EP-2093278-A1 Performance additive for improving the sprinkling characteristics of ionic fluids on solid surfaces Evonik Goldschmidt GmbH (DE) 2009-08-26 EP disclosed
EP-2087931-A2 Defoaming of ionic fluids Evonik Goldschmidt GmbH (DE) 2009-08-12 EP disclosed