SCHEMBL9254081

SCHEMBL9254081

CS(=O)(=O)c1cc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)ccc1OCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
PRSS1 P07477 3/20 0.41
F2 P00734 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.39
MPO P05164 1/20 0.36
PPARD Q03181 2/20 0.35
AAK1 Q2M2I8 2/20 0.34
PLAU P00749 1/20 0.34
NQO2 P16083 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
SCHEMBL9251306 0.91 HTT (0.37) F10PRSS1F2PRSS2PRSS3
SCHEMBL9251855 0.86 PPARD (0.46) ITGB3ITGA2BMPOPPARD
SCHEMBL9254301 0.85 ITGB3 (0.42) F2ITGB3ITGA2BMPOPPARD
SCHEMBL9251475 0.82 ITGB3 (0.41) F2ITGB3ITGA2BMPOPPARD
SCHEMBL9254458 0.80 ITGB3 (0.52) PRSS1ITGB3ITGA2BPLAU
SCHEMBL9251983 0.77 HTT (0.43) ITGB3ITGA2BPPARDPLAU
SCHEMBL9257540 0.76 PLAU (0.39) ITGB3ITGA2BPLAU
SCHEMBL9256124 0.73 HTT (0.35) F10F2ITGB3ITGA2BPLAU
SCHEMBL9255039 0.73 S1PR1 (0.43) F10ITGB3ITGA2BPLAU
SCHEMBL9259804 0.72 MMP2 (0.44) NQO2

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