SCHEMBL9258249

SCHEMBL9258249

N=C(N)c1ccc(-c2coc(-c3ccc(CCC(=O)O)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
FFAR1 O14842 4/20 0.47
PRSS1 P07477 1/20 0.44
TMPRSS15 P98073 1/20 0.44
S1PR1 P21453 9/20 0.42
S1PR3 Q99500 9/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
NQO2 P16083 1/20 0.40

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
SCHEMBL9257765 0.86 S1PR1 (0.45) ITGB3ITGA2BFFAR1PRSS1S1PR1
SCHEMBL9257683 0.81 ITGB3 (0.56) ITGB3ITGA2BFFAR1PRSS1TMPRSS15
SCHEMBL7118598 0.79 ITGB3 (0.74) ITGB3ITGA2BFFAR1PRSS1TMPRSS15
SCHEMBL7539560 0.77 NPC1 (0.53) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL9258497 0.77 NPC1 (0.53) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL9254150 0.76 ITGB3 (0.51) ITGB3ITGA2BFFAR1PRSS1TMPRSS15
SCHEMBL9256974 0.76 ITGB3 (0.51) ITGB3ITGA2BFFAR1PRSS1TMPRSS15
SCHEMBL9253132 0.76 ITGB3 (0.51) ITGB3ITGA2BFFAR1PRSS1TMPRSS15
SCHEMBL9255174 0.76 NQO2 (0.67) ITGB3ITGA2BPRSS1TMPRSS15F2
SCHEMBL9250114 0.75 ITGB3 (0.58) ITGB3ITGA2BFFAR1PRSS1TMPRSS15

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