SCHEMBL9253069

SCHEMBL9253069

COC(=O)CCc1ccc(-n2cnc(-c3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.50
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
F10 P00742 7/20 0.42
F9 P00740 2/20 0.42
F2 P00734 5/20 0.41
PRSS1 P07477 3/20 0.41
TMPRSS15 P98073 5/20 0.39
HDAC1 Q13547 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
ST14 Q9Y5Y6 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
SCHEMBL9255613 0.87 ITGB3 (0.58) MAP4K4ITGB3ITGA2BF10F9
SCHEMBL9259335 0.84 TMPRSS15 (0.41) MAP4K4ITGB3ITGA2BF10F2
SCHEMBL9254755 0.81 MAP4K4 (0.38) MAP4K4ITGB3ITGA2BF10F9
SCHEMBL9254891 0.80 ITGB3 (0.42) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9257859 0.80 ITGB3 (0.42) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9255111 0.80 ITGB3 (0.42) ITGB3ITGA2BF10F2PRSS1
SCHEMBL10852393 0.80 MAP4K4 (0.63) MAP4K4F10F9F2PRSS1
SCHEMBL9254982 0.80 ITGB3 (0.44) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9255590 0.80 ITGB3 (0.44) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9250686 0.80 ITGB3 (0.44) 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