SCHEMBL335729

SCHEMBL335729

CCOc1nc2ccccc2nc1C(=O)NC(c1ccccc1)C(O)C(=O)Nc1ccc2nc(N)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.43
F3 P13726 1/20 0.43
MAPK1 P28482 2/20 0.38
F9 P00740 2/20 0.38
ACP1 P24666 1/20 0.37
F11 P03951 1/20 0.37
ABL1 P00519 1/20 0.35
FABP6 P51161 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
SCHEMBL335396 0.85 F7 (0.44) F7F3F9
SCHEMBL336443 0.82 SMN1; SMN2 (0.43) ACP1ABL1FABP6
SCHEMBL335501 0.81 NPC1 (0.43) F7F3MAPK1F9ACP1
SCHEMBL15282285 0.81 ACP1 (0.46) F7F3MAPK1ACP1ABL1
SCHEMBL15282212 0.81 ACP1 (0.46) F7F3MAPK1ACP1ABL1
SCHEMBL334912 0.80 F7 (0.40) F7F3F9ACP1ABL1
SCHEMBL336014 0.80 ABL1 (0.41) F7F3MAPK1F9ACP1
SCHEMBL336367 0.80 MAPT (0.47) F7MAPK1F9ACP1ABL1
SCHEMBL334843 0.79 KDR (0.45) F7F9F11ABL1FABP6
SCHEMBL335878 0.79 ABL1 (0.43) F7F3MAPK1F9ACP1

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