SCHEMBL5212604

SCHEMBL5212604

Cc1cc(C([NH])=O)ccc1N1CCOCC1=O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.48
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39

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
SCHEMBL1479610 0.88 MYC (0.49) F10
SCHEMBL1675822 0.87 F10 (0.48) F10
SCHEMBL4907363 0.84 F10 (0.50) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4910068 0.83 PIK3CA (0.47) F10
SCHEMBL8306468 0.80 ALDH1A1 (0.49) F10
SCHEMBL77090 0.79 MAPT (0.47) F10RAF1
SCHEMBL1678414 0.77 F10 (0.49) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1377777 0.77 F10 (0.58) F10RAF1BRAF
SCHEMBL1479114 0.76 MYC (0.48) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1675756 0.76 F10 (0.46) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797080-A1 NOVEL SUBSTITUTED THIOPHENCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-06-20 EP disclosed
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2006034822-A1 NOVEL SUBSTITUTED THIOPHENCARBOXYLIC ACID AMIDES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-06 WO disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed