SCHEMBL9253071

SCHEMBL9253071

COC(=O)CCc1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.56
F2 P00734 8/20 0.48
F10 P00742 8/20 0.48
PRSS1 P07477 4/20 0.48
ST14 Q9Y5Y6 1/20 0.45
TMPRSS15 P98073 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
KLKB1 P03952 1/20 0.41

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
Hydrochloric Acid SCHEMBL9254391 0.86 ST14 (0.54) F2F10PRSS1ST14ITGB3
SCHEMBL9250757 0.86 NQO2 (0.51) NQO2F2F10PRSS1TMPRSS15
SCHEMBL9253124 0.86 F2 (0.45) F2F10PRSS1ST14TMPRSS15
SCHEMBL9257420 0.86 F2 (0.48) NQO2F2F10PRSS1TMPRSS15
SCHEMBL9254195 0.84 NQO2 (0.61) NQO2F2F10PRSS1ST14
SCHEMBL9250170 0.82 NQO2 (0.61) NQO2F2F10PRSS1TMPRSS15
SCHEMBL9258660 0.80 F2 (0.44) NQO2F2F10PRSS1ST14
SCHEMBL9257819 0.79 NPC1 (0.50) F2ST14ITGB3ITGA2B
SCHEMBL7303344 0.78 ST14 (0.59) F2F10PRSS1ST14ITGB3
Hydrochloric Acid SCHEMBL9254684 0.78 NPC1 (0.49) F2ST14ITGB3ITGA2B

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