SCHEMBL3199727

SCHEMBL3199727

Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 3/20 0.39
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.35
FFAR1 O14842 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35

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
SCHEMBL3202327 0.92 MCL1 (0.40) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL547990 0.89 KMT2A (0.45) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL3189160 0.88 AVPR2 (0.37) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL3202130 0.88 MCL1 (0.34) MAPTMCL1AVPR2GPR27IDH1
SCHEMBL3201678 0.87 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL547725 0.87 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL3203586 0.86 MCL1 (0.42) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL5405540 0.83 MAPT (0.40) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL5415913 0.82 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL3197629 0.81 POLQ (0.35) CYP3A4CYP2D6MAPTMCL1AVPR2

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