SCHEMBL9259335

SCHEMBL9259335

COC(=O)CCc1cn(-c2ccc(-c3ccc(C(=N)N)cc3)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 8/20 0.41
MAP4K4 O95819 1/20 0.40
CPB1 P15086 3/20 0.36
CPB2 Q96IY4 3/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
MIF P14174 1/20 0.35
F10 P00742 3/20 0.35
F2 P00734 2/20 0.35
PRSS1 P07477 2/20 0.35
MAPT P10636 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL9257483 0.90 TMPRSS15 (0.37) TMPRSS15MAP4K4CPB1CPB2MIF
SCHEMBL9251133 0.88 TMPRSS15 (0.41) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9258214 0.87 TMPRSS15 (0.39) TMPRSS15CPB1CPB2F10F2
SCHEMBL9257847 0.86 ITGB3 (0.49) TMPRSS15MAP4K4CPB1CPB2ITGB3
SCHEMBL9256201 0.85 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9252503 0.84 TMPRSS15 (0.35) TMPRSS15ITGB3ITGA2BF10F2
SCHEMBL9253069 0.84 MAP4K4 (0.50) TMPRSS15MAP4K4ITGB3ITGA2BF10
SCHEMBL8863938 0.83 TMPRSS15 (0.36) TMPRSS15MAP4K4ITGB3ITGA2BF10
SCHEMBL9256277 0.83 MAP4K4 (0.36) TMPRSS15MAP4K4CPB1CPB2MIF
SCHEMBL9251382 0.82 F10 (0.34) TMPRSS15ITGB3ITGA2BF10F2

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