SCHEMBL9258646

SCHEMBL9258646

N=C(N)c1ccc(-n2ccc(-c3ccc(CCC(=O)O)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.59
ITGA2B P08514 13/20 0.59
F2 P00734 2/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 2/20 0.41
PLG P00747 1/20 0.41
PRSS2 P07478 1/20 0.41
C1S P09871 1/20 0.41
PRSS3 P35030 1/20 0.41
TMPRSS15 P98073 1/20 0.41
FFAR1 O14842 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGA4 P13612 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
NQO2 P16083 1/20 0.37

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
SCHEMBL9258841 1.00 ITGB3 (0.59) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9255881 0.87 ITGB3 (0.44) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9250686 0.87 ITGB3 (0.44) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9253641 0.81 ITGB3 (0.59) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9257387 0.81 ITGB3 (0.59) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9250781 0.81 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9258299 0.81 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9255613 0.78 ITGB3 (0.58) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9255123 0.78 ITGB3 (0.52) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7118598 0.78 ITGB3 (0.74) ITGB3ITGA2BF2F10PRSS1

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-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed