SCHEMBL9258718

SCHEMBL9258718

CC(Cc1cn(-c2ccc(-c3ccc(C(=N)N)cc3)nn2)cn1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 5/20 0.39
CPB2 Q96IY4 5/20 0.39
PRSS1 P07477 9/20 0.37
TMPRSS15 P98073 8/20 0.37
PDK1 Q15118 1/20 0.36
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F10 P00742 3/20 0.33
F9 P00740 1/20 0.33
F2 P00734 1/20 0.33

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
SCHEMBL9254389 0.90 F10 (0.40) CPB1CPB2PRSS1F10F2
SCHEMBL9568520 0.89 PDK1 (0.36) CPB1CPB2PRSS1PDK1ITGB3
SCHEMBL9254878 0.89 CPB2 (0.36) CPB1CPB2PRSS1PDK1ITGB3
SCHEMBL9248830 0.88 CPB2 (0.42) CPB1CPB2PDK1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL9256051 0.88 PDK1 (0.36) CPB1CPB2PRSS1PDK1ITGB3
SCHEMBL9251486 0.87 ITGB3 (0.36) CPB1CPB2PDK1ITGB3ITGA2B
SCHEMBL9254452 0.85 CPB1 (0.37) CPB1CPB2PRSS1PDK1ITGB3
SCHEMBL8863320 0.83 F10 (0.36) CPB1CPB2PRSS1PDK1ITGB3
SCHEMBL9568746 0.83 F10 (0.36) CPB1CPB2PRSS1PDK1ITGB3
SCHEMBL9253978 0.83 ITGB3 (0.37) PRSS1TMPRSS15PDK1ITGB3ITGA2B

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