SCHEMBL9257720

SCHEMBL9257720

Cc1cc(C(=N)N)ccc1-c1ccc(-n2cnc(CCC(=O)O)c2)nn1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.33
ITGA2B P08514 5/20 0.33
S1PR1 P21453 3/20 0.33
FFAR1 O14842 2/20 0.33
PRSS1 P07477 2/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
S1PR3 Q99500 2/20 0.32
F10 P00742 3/20 0.32
F2 P00734 3/20 0.32
PDK1 Q15118 1/20 0.31
ADH5 P11766 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSP90AA1 P07900 2/20 0.31
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL9254271 0.90 SYK (0.33) PRSS1PRSS2PRSS3F10F2
SCHEMBL9251004 0.89 PRSS1 (0.37) ITGB3ITGA2BPRSS1F10F2
SCHEMBL9256872 0.89 TMPRSS15 (0.35) ITGB3ITGA2BPRSS1F10F2
SCHEMBL9251805 0.85 PDK1 (0.33) FFAR1PDK1
SCHEMBL9568440 0.84 ITGB3 (0.39) ITGB3ITGA2BPRSS1F10F2
SCHEMBL9258452 0.81 PRSS1 (0.36) PRSS1F10F2
SCHEMBL9252815 0.80 TMPRSS15 (0.39) PRSS1F10F2
SCHEMBL9254757 0.79 ITGB3 (0.36) ITGB3ITGA2BFFAR1PRSS1F10
SCHEMBL9253978 0.79 ITGB3 (0.37) ITGB3ITGA2BPRSS1F10F2
SCHEMBL9255073 0.76 PIK3CA (0.32) F10F2CYP2C19

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