SCHEMBL9258560

SCHEMBL9258560

COC(=O)CCc1ccc(-c2nc(C)n(-c3ccc(C(=N)N)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
F2 P00734 7/20 0.39
F10 P00742 6/20 0.39
PRSS1 P07477 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
ST14 Q9Y5Y6 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
MAPT P10636 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4A O75164 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
SCHEMBL9253041 0.88 ITGB3 (0.57) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9255111 0.82 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9254891 0.82 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL7281388 0.81 ITGB3 (0.43) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7282723 0.81 ITGB3 (0.41) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7274154 0.81 ITGB3 (0.41) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7273430 0.80 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
Hydrochloric Acid SCHEMBL7283561 0.80 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9257859 0.80 ITGB3 (0.42) ITGB3ITGA2BF2F10PRSS1
SCHEMBL9250686 0.80 ITGB3 (0.44) 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