SCHEMBL9259655

SCHEMBL9259655

N=C(N)c1ccc(-c2c[nH]c(-c3ccc(NCCC(=O)O)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.46
ITGA2B P08514 7/20 0.46
PRSS1 P07477 8/20 0.44
F2 P00734 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
POLB P06746 1/20 0.42
TMPRSS15 P98073 2/20 0.40
ITGB2 P05107 1/20 0.39
ITGAM P11215 1/20 0.39

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
SCHEMBL9255915 0.89 ITGB3 (0.44) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9254303 0.88 TMPRSS15 (0.43) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9256974 0.83 ITGB3 (0.51) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9253132 0.83 ITGB3 (0.51) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9253478 0.81 KLK1 (0.38) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9258365 0.78 NQO2 (0.38) ITGB3ITGA2BPRSS1TMPRSS15
SCHEMBL9254922 0.77 GRK6 (0.42) ITGB3ITGA2B
SCHEMBL9254458 0.77 ITGB3 (0.52) ITGB3ITGA2BPRSS1
SCHEMBL9259804 0.76 MMP2 (0.44)
SCHEMBL9254490 0.76 F10 (0.38) ITGB3ITGA2BPOLB

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