SCHEMBL9256974

SCHEMBL9256974

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.51
ITGA2B P08514 10/20 0.51
CHEK2 O96017 1/20 0.45
F2 P00734 2/20 0.42
F10 P00742 1/20 0.42
PRSS1 P07477 2/20 0.41
TMPRSS15 P98073 1/20 0.41
FFAR1 O14842 1/20 0.41
ST14 Q9Y5Y6 1/20 0.39
PLG P00747 1/20 0.39
PRSS2 P07478 1/20 0.39
C1S P09871 1/20 0.39
PRSS3 P35030 1/20 0.39
NQO2 P16083 2/20 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
SCHEMBL9253132 1.00 ITGB3 (0.51) ITGB3ITGA2BCHEK2F2F10
SCHEMBL9568559 0.86 F2 (0.41) ITGB3ITGA2BCHEK2F2F10
SCHEMBL9257084 0.86 F2 (0.41) ITGB3ITGA2BCHEK2F2F10
Hydrochloric Acid SCHEMBL9254356 0.85 F2 (0.40) ITGB3ITGA2BCHEK2F2F10
SCHEMBL9258365 0.85 NQO2 (0.38) ITGB3ITGA2BPRSS1TMPRSS15FFAR1
SCHEMBL9254490 0.83 F10 (0.38) ITGB3ITGA2BF10
SCHEMBL9255778 0.83 ITGB3 (0.37) ITGB3ITGA2BCHEK2F10PRSS1
SCHEMBL9259655 0.83 ITGB3 (0.46) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL9254802 0.81 ITGB3 (0.42) ITGB3ITGA2BPRSS1TMPRSS15NQO2
SCHEMBL9254922 0.80 GRK6 (0.42) ITGB3ITGA2BFFAR1NQO2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP claimed
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