SCHEMBL5066003

SCHEMBL5066003

CS(=O)(=O)[O-].Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.41

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 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.41
RAPGEF4 Q8WZA2 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
METAP2 P50579 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
GFER P55789 1/20 0.33
NR3C1 P04150 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL58785 0.90 FFAR4 (0.46) FFAR4RAPGEF4L3MBTL1LMNATDP1
SCHEMBL5066033 0.90 FFAR4 (0.45) FFAR4L3MBTL1LMNATDP1SMN1; SMN2
SCHEMBL2512387 0.89 RAPGEF4 (0.45) FFAR4RAPGEF4L3MBTL1LMNATDP1
Trifluoromethanesulfonic Acid SCHEMBL546940 0.87 GPR3 (0.43) FFAR4RAPGEF4L3MBTL1LMNASMN1; SMN2
SCHEMBL424812 0.87 CYP1A2 (0.40) FFAR4RAPGEF4L3MBTL1LMNAMAPT
SCHEMBL2512390 0.86 FFAR4 (0.36) FFAR4RAPGEF4L3MBTL1LMNATDP1
Hydrochloric Acid SCHEMBL6764989 0.85 CYP1A2 (0.39) FFAR4RAPGEF4L3MBTL1LMNAMAPT
Bromide SCHEMBL3144004 0.85 CYP1A2 (0.39) FFAR4RAPGEF4L3MBTL1LMNAMAPT
SCHEMBL3190654 0.85 FFAR4 (0.47) FFAR4LMNATDP1SMN1; SMN2
SCHEMBL6282642 0.85 FFAR4 (0.47) FFAR4L3MBTL1LMNATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1516230-B1 PHOTOSENSITIVE COMPOSITIONS FUJIFILM ELECTRONIC MATERIALS (US) 2015-12-30 EP disclosed
EP-1516230-A4 PHOTOSENSITIVE COMPOSITIONS FUJIFILM ELECTRONIC MATERIALS (US) 2008-01-02 EP disclosed
US-6911297-B2 Photoresist compositions ARCH SPECIALTY CHEMICALS, INC. (US) 2005-06-28 US disclosed
EP-1299774-A4 PERFLUOROALKYLSULFONIC ACID COMPOUNDS FOR PHOTORESISTS ARCH SPEC CHEM INC (US) 2005-06-08 EP disclosed
EP-1516230-A2 PHOTOSENSITIVE COMPOSITIONS Arch Specialty Chemicals, Inc. (US) 2005-03-23 EP disclosed
US-6855476-B2 Photoacid generators for use in photoresist compositions ARCH SPECIALTY CHEMICALS, INC. (US) 2005-02-15 US disclosed
US-20040072095-A1 Photoresist compositions ARCH SPECIALITY CHEMICAL, INC. 2004-04-15 US disclosed
WO-2004002955-A2 PHOTOSENSITIVE COMPOSITIONS ARCH SPECIALTY CHEMICALS, INC. (US) 2004-01-08 WO disclosed
EP-1299774-A1 PERFLUOROALKYLSULFONIC ACID COMPOUNDS FOR PHOTORESISTS ARCH SPECIALTY CHEMICALS, INC. (US) 2003-04-09 EP disclosed
US-20020197558-A1 Photoacid generators for use in photoresist compositions ARCH SPECIALTY CHEMICALS, INC. 2002-12-26 US disclosed
WO-2002082185-A1 PERFLUOROALKYLSULFONIC ACID COMPOUNDS FOR PHOTORESISTS ARCH SPECIALTY CHEMICALS, INC. (US) 2002-10-17 WO disclosed