SCHEMBL9254982

SCHEMBL9254982

COC(=O)CCc1ccc(-c2ncn(-c3ccc(C(=N)N)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
F10 P00742 9/20 0.41
F2 P00734 6/20 0.40
PRSS1 P07477 3/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
TMPRSS15 P98073 3/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HDAC1 Q13547 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL9255590 1.00 ITGB3 (0.44) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9253641 0.87 ITGB3 (0.59) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9257387 0.87 ITGB3 (0.59) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9255881 0.83 ITGB3 (0.44) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9250686 0.83 ITGB3 (0.44) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9251339 0.81 HPGD (0.49) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9258560 0.80 ITGB3 (0.43) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9253069 0.80 MAP4K4 (0.50) ITGB3ITGA2BF10F2PRSS1
Hydrochloric Acid SCHEMBL9254302 0.80 HPGD (0.48) ITGB3ITGA2BF10F2PRSS1
Hydrochloric Acid SCHEMBL9254391 0.79 ST14 (0.54) ITGB3ITGA2BF10F2PRSS1

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