SCHEMBL335316

SCHEMBL335316

COc1cc(C(=O)NC(c2ccccc2)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)nc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
P2RY12 Q9H244 15/20 0.41
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
F7 P08709 2/20 0.39
F3 P13726 1/20 0.39
F9 P00740 1/20 0.38

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
SCHEMBL27580388 0.86 ALOX15 (0.49) ALOX15F7F3F9
SCHEMBL335834 0.85 RAB9A (0.42)
SCHEMBL336443 0.84 SMN1; SMN2 (0.43)
SCHEMBL336047 0.84 POLB (0.43) F7F3F9
SCHEMBL335498 0.84 TAS1R3 (0.45) F7F3F9
SCHEMBL334843 0.83 KDR (0.45) F7F9
SCHEMBL15282212 0.81 ACP1 (0.46) F7F3
SCHEMBL15282285 0.81 ACP1 (0.46) F7F3
SCHEMBL335500 0.81 F9 (0.44) F7F9
SCHEMBL336367 0.80 MAPT (0.47) F7F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed