SCHEMBL8550245

SCHEMBL8550245

COc1cc(F)c(C(=O)C(C)Br)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR35 Q9HC97 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
POLB P06746 1/20 0.38
CPS1 P31327 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.36
APP P05067 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 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
SCHEMBL8546757 0.80 CYP3A4 (0.51) KMT2ACYP2C19USP2CYP3A4MAPK1
SCHEMBL1924047 0.80 CYP3A4 (0.50) KMT2APOLBALDH1A1CYP1A2GAA
SCHEMBL1162432 0.76 KMT2A (0.46) KMT2AALDH1A1CYP1A2GAA
SCHEMBL1646977 0.75 POLB (0.45) PTGS2KMT2AGPR35TAAR1POLB
SCHEMBL2382494 0.75 CYP3A4 (0.53) KMT2ATAAR1POLBCPS1ALDH1A1
SCHEMBL9241705 0.73 TAAR1 (0.52) TAAR1POLBCPS1ALDH1A1RAB9A
SCHEMBL8017091 0.73 CYP3A4 (0.55) TAAR1POLBCPS1ALDH1A1GAA
SCHEMBL1759022 0.73 TAAR1 (0.42) TAAR1CPS1ALDH1A1RAB9AHDAC1
SCHEMBL1162664 0.73 CES2 (0.55) KMT2AALDH1A1GAA
SCHEMBL12248644 0.73 GSK3B (0.50) GPR35TAAR1CPS1ALDH1A1RAB9A

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
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
US-5602132-A USEFUL IN TREATMENT OF PATHOLOGIES INVOLVING CORTICOTROPIN RELEASING FACTOR SANOFI (FR) 1997-02-11 US disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP disclosed