SCHEMBL9558987

SCHEMBL9558987

N=C(N)c1ccc(NC(=O)C2CCCCC2C(=O)NC(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.64
ITGA2B P08514 14/20 0.64
F2 P00734 2/20 0.49
F7 P08709 1/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9558988 0.98 ITGB3 (0.64) ITGB3ITGA2BF2F7
SCHEMBL9558976 0.96 ITGB3 (0.66) ITGB3ITGA2BF2F7
SCHEMBL7352353 0.92 ITGB3 (0.66) ITGB3ITGA2BF2F7
SCHEMBL7344449 0.92 ITGB3 (0.66) ITGB3ITGA2BF2F7
SCHEMBL9558989 0.88 F2 (0.51) ITGB3ITGA2BF2F7LMNA
SCHEMBL9558994 0.86 F2 (0.53) ITGB3ITGA2BF2F7LMNA
SCHEMBL9558494 0.83 ITGB3 (0.51) ITGB3ITGA2BF2F7LMNA
SCHEMBL9258767 0.82 ITGB3 (0.43) ITGB3ITGA2BF2
SCHEMBL9559006 0.82 KCNQ3 (0.44) ITGB3ITGA2BKCNQ3KCNQ2LMNA
SCHEMBL7085479 0.81 ITGB3 (0.70) ITGB3ITGA2B

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-5239113-A Anticoagulants MONSANTO COMPANY (US) 1993-08-24 US disclosed