SCHEMBL3202327

SCHEMBL3202327

Cc1cccc(C)c1[S+](c1ccccc1)c1ccccc1.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
MCL1 Q07820 3/20 0.40
IDH1 O75874 2/20 0.36
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
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
CDK7 P50613 1/20 0.36
CCNH P51946 1/20 0.36
CCNA1 P78396 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ABCB11 O95342 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
SCHEMBL3199727 0.92 CYP1A2 (0.40) MCL1IDH1AVPR2GPR27FFAR1
SCHEMBL3202130 0.87 MCL1 (0.34) MCL1IDH1AVPR2GPR27MAPT
SCHEMBL3194657 0.87 CYP1A2 (0.36) MCL1IDH1AVPR2GPR27FFAR1
SCHEMBL3203647 0.85 HSD11B1 (0.39) MCL1FFAR1CDK1CCNB1CCNA2
SCHEMBL3189160 0.84 AVPR2 (0.37) MCL1IDH1AVPR2GPR27FFAR1
SCHEMBL3191633 0.84 ABCB11 (0.37) MCL1AVPR2GPR27MAPK1ABCB11
SCHEMBL3203586 0.83 MCL1 (0.42) MCL1IDH1AVPR2GPR27FFAR1
SCHEMBL3197629 0.82 POLQ (0.35) MCL1AVPR2GPR27FFAR4CYP3A4
SCHEMBL4776190 0.81 ABCB11 (0.36) MCL1AVPR2GPR27CYP1A2CYP3A4
SCHEMBL547990 0.81 KMT2A (0.45) FFAR4CYP1A2CYP3A4CYP2C19MAPT

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