SCHEMBL9253873

SCHEMBL9253873

Cn1c(-c2ccc(CCC(=O)O)cc2)cc(=O)n1-c1ccc(C(=N)N)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.56
ITGA2B P08514 13/20 0.56
F10 P00742 2/20 0.42
F2 P00734 1/20 0.42
NQO2 P16083 1/20 0.42
PRSS1 P07477 1/20 0.41
TMPRSS15 P98073 1/20 0.41
FFAR1 O14842 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 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
SCHEMBL9257983 1.00 ITGB3 (0.56) ITGB3ITGA2BF10F2NQO2
SCHEMBL9256866 0.89 ITGB3 (0.42) ITGB3ITGA2BF10F2NQO2
SCHEMBL9258658 0.89 ITGB3 (0.42) ITGB3ITGA2BF10F2NQO2
SCHEMBL7281934 0.80 ITGB3 (0.58) ITGB3ITGA2BF10F2NQO2
Hydrochloric Acid SCHEMBL7274050 0.79 ITGB3 (0.57) ITGB3ITGA2BF10F2NQO2
SCHEMBL9254707 0.78 ITGB3 (0.52) ITGB3ITGA2BF10F2NQO2
SCHEMBL7281612 0.77 ITGB3 (0.57) ITGB3ITGA2BF10F2NQO2
SCHEMBL7281830 0.77 ITGB3 (0.57) ITGB3ITGA2BF10F2NQO2
SCHEMBL7118598 0.75 ITGB3 (0.74) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9254812 0.75 ITGB3 (0.57) ITGB3ITGA2BF10F2NQO2

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