SCHEMBL3201110

SCHEMBL3201110

Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1.O=S(=O)([O-])c1c(C(F)(F)F)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
FFAR1 O14842 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
MCL1 Q07820 2/20 0.34
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL3203586 0.88 MCL1 (0.42) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL5408447 0.87 FFAR1 (0.39) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3201678 0.86 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3201709 0.86 FFAR1 (0.40) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3191926 0.85 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL5403808 0.84 FFAR4 (0.43) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3204874 0.83 MEN1 (0.37) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3194657 0.82 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19MEN1KMT2A
Trifluoromethanesulfonic Acid SCHEMBL4857072 0.81 GPR3 (0.47) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3191490 0.81 HSD11B1 (0.34) CYP1A2CYP3A4CYP2C19MEN1KMT2A

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