SCHEMBL5507256

SCHEMBL5507256

Cc1cc(NC(=O)C(C)(C)NC(=O)Oc2ccc(Br)s2)ccc1N1CCNS1(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.39
AR P10275 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.33
NPY2R P49146 1/20 0.33
WDR5 P61964 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL5510944 0.88 F10 (0.38) F10ARNPY2RWDR5
SCHEMBL4474983 0.86 F10 (0.53) F10ARPIK3C3NPY2RTP53
SCHEMBL5503712 0.84 F10 (0.38) F10ARPIK3C3NPY2RWDR5
SCHEMBL5505095 0.83 F10 (0.45) F10ARNPY2R
SCHEMBL4468411 0.81 F10 (0.51) F10ARPIK3C3NPY2RTP53
SCHEMBL5504077 0.81 F10 (0.42) F10ARNPY2RWDR5TP53
SCHEMBL5505635 0.78 F10 (0.45) F10ARNPY2RWDR5TP53
SCHEMBL5505524 0.78 F10 (0.40) F10ARNPY2RWDR5TP53
SCHEMBL5504066 0.77 F10 (0.46) F10ARNPY2RTP53MAPT
SCHEMBL5517405 0.76 F10 (0.40) F10ARNPY2RWDR5TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed