SCHEMBL3203586

SCHEMBL3203586

Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
EPHX2 P34913 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
FFAR1 O14842 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL3201110 0.88 CYP1A2 (0.39) MCL1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3201709 0.87 FFAR1 (0.40) MCL1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3199727 0.86 CYP1A2 (0.40) MCL1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3189160 0.84 AVPR2 (0.37) MCL1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL5408447 0.84 FFAR1 (0.39) MCL1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL5403808 0.83 FFAR4 (0.43) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3202327 0.83 MCL1 (0.40) MCL1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3181636 0.81 AVPR2 (0.38) MCL1MEN1KMT2AMAPTALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL4857072 0.81 GPR3 (0.47) MCL1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL3191926 0.79 CYP1A2 (0.36) MCL1CYP1A2CYP3A4CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed