SCHEMBL9258658

SCHEMBL9258658

COC(=O)CCc1ccc(-n2c(=O)cc(-c3ccc(C(=N)N)cc3)n2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
F2 P00734 9/20 0.41
F10 P00742 8/20 0.41
PRSS1 P07477 5/20 0.41
HRH3 Q9Y5N1 1/20 0.39
NQO2 P16083 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
HDAC1 Q13547 1/20 0.36
PLG P00747 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
TMPRSS15 P98073 1/20 0.35

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
SCHEMBL9256866 1.00 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9257983 0.89 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9253873 0.89 ITGB3 (0.56) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7283361 0.80 ITGB3 (0.43) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7283302 0.80 ITGB3 (0.43) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9257600 0.79 F2 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9251193 0.78 MAPT (0.47) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL8575112 0.78 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9568473 0.78 MAPT (0.47) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL8577399 0.78 ITGB3 (0.42) 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