SCHEMBL9257540

SCHEMBL9257540

COC(=O)COc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1SC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLAU P00749 7/20 0.39
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
PLG P00747 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34
TMPRSS15 P98073 2/20 0.33

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
SCHEMBL9254301 0.90 ITGB3 (0.42) PLAUITGB3ITGA2BPLG
SCHEMBL9251983 0.89 HTT (0.43) PLAUITGB3ITGA2BMAPTMEN1
SCHEMBL9251306 0.85 HTT (0.37) PLAUITGB3ITGA2BMAPTMEN1
SCHEMBL9256124 0.84 HTT (0.35) PLAUITGB3ITGA2BMAPTMEN1
SCHEMBL9251855 0.79 PPARD (0.46) ITGB3ITGA2B
SCHEMBL9250408 0.76 CHEK1 (0.38) PLAUITGB3ITGA2BMAPTMEN1
SCHEMBL9259308 0.76 L3MBTL1 (0.36) ITGB3ITGA2BMAPTKMT2AALDH1A1
SCHEMBL9254081 0.76 F10 (0.41) PLAUITGB3ITGA2B
SCHEMBL9253817 0.75 TMPRSS15 (0.38) ITGB3ITGA2BTMPRSS15
SCHEMBL9251429 0.75 TMPRSS15 (0.36) ITGB3ITGA2BTMPRSS15

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