SCHEMBL9256993

SCHEMBL9256993

N=C(N)c1ccc(-c2ccc(-n3cnc(CCC(=O)O)c3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.40
ITGA2B P08514 7/20 0.40
F10 P00742 2/20 0.38
PRSS1 P07477 2/20 0.38
F2 P00734 1/20 0.38
EGLN1 Q9GZT9 3/20 0.36
WDR5 P61964 1/20 0.35
TMPRSS15 P98073 3/20 0.35
UBE2T Q9NPD8 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL9257511 0.88 ITGB3 (0.41) ITGB3ITGA2BF10PRSS1F2
SCHEMBL9258214 0.87 TMPRSS15 (0.39) F10PRSS1F2EGLN1TMPRSS15
SCHEMBL9257847 0.86 ITGB3 (0.49) ITGB3ITGA2BF10PRSS1F2
SCHEMBL9568440 0.85 ITGB3 (0.39) ITGB3ITGA2BF10PRSS1F2
SCHEMBL9250993 0.80 ITGB3 (0.38) ITGB3ITGA2BF10PRSS1F2
SCHEMBL9254757 0.79 ITGB3 (0.36) ITGB3ITGA2BF10PRSS1F2
SCHEMBL9253978 0.79 ITGB3 (0.37) ITGB3ITGA2BF10PRSS1F2
SCHEMBL9257515 0.79 ITGB3 (0.41) ITGB3ITGA2BF10PRSS1F2
SCHEMBL9250967 0.78 MAP4K4 (0.41) ITGB3ITGA2BF10PRSS1F2
SCHEMBL9247247 0.78 ITGB3 (0.37) ITGB3ITGA2BF10PRSS1F2

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