SCHEMBL9251475

SCHEMBL9251475

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
MPO P05164 1/20 0.36
PPARD Q03181 8/20 0.35
PLAU P00749 2/20 0.33
NQO2 P16083 1/20 0.33
F2 P00734 1/20 0.33
PPARA Q07869 2/20 0.32
PLG P00747 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9256124 0.91 HTT (0.35) ITGB3ITGA2BPLAUF2MEN1
SCHEMBL9251855 0.85 PPARD (0.46) ITGB3ITGA2BMPOPPARDPPARA
SCHEMBL9254301 0.84 ITGB3 (0.42) ITGB3ITGA2BMPOPPARDPLAU
SCHEMBL9254081 0.82 F10 (0.41) ITGB3ITGA2BMPOPPARDPLAU
SCHEMBL9254458 0.79 ITGB3 (0.52) ITGB3ITGA2BPLAUPLGMEN1
SCHEMBL9251983 0.76 HTT (0.43) ITGB3ITGA2BPPARDPLAUPPARA
SCHEMBL9257540 0.75 PLAU (0.39) ITGB3ITGA2BPLAUPLGMEN1
SCHEMBL9251306 0.73 HTT (0.37) ITGB3ITGA2BPLAUF2MEN1
SCHEMBL9254020 0.73 NQO2 (0.36) ITGB3ITGA2BPLAUNQO2F2
SCHEMBL9255039 0.72 S1PR1 (0.43) ITGB3ITGA2BPLAUMEN1KMT2A

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