SCHEMBL9254301

SCHEMBL9254301

CSc1cc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)ccc1OCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
MPO P05164 1/20 0.39
PPARD Q03181 4/20 0.36
PLAU P00749 5/20 0.35
PLG P00747 4/20 0.35
NQO2 P16083 1/20 0.35
F2 P00734 1/20 0.34
FGFR1 P11362 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
SCHEMBL9257540 0.90 PLAU (0.39) ITGB3ITGA2BPLAUPLG
SCHEMBL9251855 0.88 PPARD (0.46) ITGB3ITGA2BMPOPPARD
SCHEMBL9254081 0.85 F10 (0.41) ITGB3ITGA2BMPOPPARDPLAU
SCHEMBL9251475 0.84 ITGB3 (0.41) ITGB3ITGA2BMPOPPARDPLAU
SCHEMBL9254458 0.81 ITGB3 (0.52) ITGB3ITGA2BPLAUPLG
SCHEMBL9251983 0.78 HTT (0.43) ITGB3ITGA2BPPARDPLAU
SCHEMBL9251306 0.76 HTT (0.37) ITGB3ITGA2BPLAUF2
SCHEMBL9256124 0.75 HTT (0.35) ITGB3ITGA2BPLAUF2
SCHEMBL9255039 0.74 S1PR1 (0.43) ITGB3ITGA2BPLAU
SCHEMBL9255915 0.73 ITGB3 (0.44) ITGB3ITGA2BNQO2F2

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