SCHEMBL8097097

SCHEMBL8097097

C[C@H](NC(=O)CC(=O)NC1C=CC(C(=N)N)=CC1)c1cccc(-c2ccc(NS(C)(=O)=O)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.37
F2 P00734 5/20 0.37
F10 P00742 2/20 0.36
PRSS1 P07477 1/20 0.36
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 1/20 0.35
CSNK1D P48730 1/20 0.35
F9 P00740 1/20 0.35
PHGDH O43175 1/20 0.34

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
SCHEMBL860395 0.80 F7 (0.52) F7F2F10F9
SCHEMBL3640208 0.80 F7 (0.52) F7F2F10F9
Trifluoroacetic Acid SCHEMBL842198 0.75 F7 (0.47) F7F2F10F9
SCHEMBL13524607 0.67 RXRA (0.53) ROCK2ROCK1
SCHEMBL860309 0.67 F7 (0.58) F7F2F10
SCHEMBL842032 0.65 HSD17B1 (0.50) ROCK2ROCK1
SCHEMBL860476 0.65 HSD17B1 (0.50) ROCK2ROCK1
SCHEMBL15937527 0.63 LIPG (0.69) ROCK2PHGDH
SCHEMBL15937528 0.63 LIPG (0.69) ROCK2PHGDH
SCHEMBL860369 0.60 F7 (0.53) F7F2F10

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
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed