SCHEMBL9257934

SCHEMBL9257934

N=C(N)c1ccc(NC(=O)C2CC2C(=O)Nc2ncccc2CCC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
KLK5 Q9Y337 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
F10 P00742 2/20 0.38
PARP1 P09874 1/20 0.38
PARP10 Q53GL7 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
SCHEMBL9260554 1.00 ITGB3 (0.42) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL9425678 0.96 ITGB3 (0.42) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL9426346 0.92 F2 (0.43) ITGB3ITGA2BKLK5F2
SCHEMBL6979099 0.84 ITGB3 (0.40) ITGB3ITGA2BKLK5
SCHEMBL7352320 0.84 ITGB3 (0.45) ITGB3ITGA2BKLK5F2PRSS1
SCHEMBL6980921 0.84 ITGB3 (0.58) ITGB3ITGA2B
SCHEMBL9261117 0.82 ITGB3 (0.45) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9260617 0.82 ITGB3 (0.45) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL9260591 0.82 MEN1 (0.34) PARP1PARP10
SCHEMBL6978226 0.82 MEN1 (0.34) PARP1PARP10

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
US-5378727-A ADMINISTERING TO MAMMALS G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0539343-A1 Substituted heterocyclic derivatives useful as platelet aggregation inhibitors MONSANTO COMPANY (US) 1993-04-28 EP disclosed