SCHEMBL3413661

SCHEMBL3413661

O=CC(Br)c1nc2ccccc2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.49
▸ ALOX5 P09917 1/20 0.46
▸ CASR P41180 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PSMB8 P28062 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ DRD2 P14416 1/20 0.42

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
SCHEMBL8340095 0.82 HPGD (0.53) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27678865 0.77 LOXL2 (0.62) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27704816 0.77 HPGD (0.54) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL6240188 0.77 LOXL2 (0.62) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27352412 0.77 HPGD (0.54) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL21694384 0.76 MAPK9 (0.48) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27263958 0.74 HPGD (0.45) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27264761 0.74 HPGD (0.53) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL11158991 0.74 HPGD (0.65) HPGDHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL27943317 0.74 HPGD (0.59) HPGDHSD17B10CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2999701-A1 2-PHENYLIMIDAZO[1,2-A]PYRIMIDINES AS IMAGING AGENTS Hoffmann-La Roche Inc. (US) 2016-03-30 — — EP disclosed
EP-2847200-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION Bristol-Myers Squibb Company (US) 2015-03-18 — — EP disclosed
WO-2013163244-A1 IMIDAZOTHIADIAZOLE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-31 — — WO disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 — — EP disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 — — WO disclosed
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