SCHEMBL9252575

SCHEMBL9252575

N=C(N)c1ccc(-c2cnc(-c3ccc(CCC(=O)O)cc3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
F10 P00742 2/20 0.49
F2 P00734 1/20 0.49
PRSS1 P07477 1/20 0.45
TMPRSS15 P98073 1/20 0.45
NQO2 P16083 3/20 0.44
CSNK2A1 P68400 1/20 0.43
FFAR1 O14842 1/20 0.42
S1PR1 P21453 2/20 0.41
S1PR5 Q9H228 2/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 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
SCHEMBL9257420 0.86 F2 (0.48) F10F2PRSS1TMPRSS15NQO2
SCHEMBL9254195 0.84 NQO2 (0.61) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9250114 0.83 ITGB3 (0.58) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7118598 0.80 ITGB3 (0.74) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9255174 0.77 NQO2 (0.67) ITGB3ITGA2BF10F2PRSS1
SCHEMBL7539560 0.76 NPC1 (0.53) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL9258497 0.76 NPC1 (0.53) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL9257683 0.74 ITGB3 (0.56) ITGB3ITGA2BF10F2PRSS1
SCHEMBL9257438 0.73 ITGB3 (0.46) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL9251460 0.73 NQO2 (0.56) ITGB3ITGA2BPRSS1TMPRSS15NQO2

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