SCHEMBL9256124

SCHEMBL9256124

COC(=O)COc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1[S+](C)[O-]

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
PLAU P00749 3/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 3/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
F10 P00742 2/20 0.33
F2 P00734 1/20 0.33
TMPRSS15 P98073 3/20 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
SCHEMBL9251475 0.91 ITGB3 (0.41) PLAUITGB3ITGA2BMEN1KMT2A
SCHEMBL9251983 0.86 HTT (0.43) HTTPLAUITGB3ITGA2BMAPT
SCHEMBL9257540 0.84 PLAU (0.39) HTTPLAUITGB3ITGA2BMAPT
SCHEMBL9251306 0.83 HTT (0.37) HTTPLAUITGB3ITGA2BMAPT
SCHEMBL9256770 0.76 ITGB3 (0.35) PLAUITGB3ITGA2BALDH1A1KDM4E
SCHEMBL9251855 0.76 PPARD (0.46) ITGB3ITGA2B
SCHEMBL9254301 0.75 ITGB3 (0.42) PLAUITGB3ITGA2BF2
SCHEMBL9250408 0.74 CHEK1 (0.38) PLAUITGB3ITGA2BMAPTMEN1
SCHEMBL9254081 0.73 F10 (0.41) PLAUITGB3ITGA2BF10F2
SCHEMBL9257749 0.73 PHGDH (0.37) PLAUITGB3ITGA2BKMT2AALDH1A1

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