SCHEMBL9251983

SCHEMBL9251983

COC(=O)COc1ccc(-c2nc(-c3ccc(C(=N)N)cc3)c[nH]2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
PPARD Q03181 3/20 0.38
PLAU P00749 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GRK6 P43250 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PPARA Q07869 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL9251855 0.90 PPARD (0.46) PPARDGRK6ITGB3ITGA2BPPARA
SCHEMBL9257540 0.89 PLAU (0.39) HTTPLAUITGB3ITGA2BKDM4E
SCHEMBL9251306 0.87 HTT (0.37) HTTPLAUITGB3ITGA2BKDM4E
SCHEMBL9256124 0.86 HTT (0.35) HTTPLAUITGB3ITGA2BKDM4E
SCHEMBL9254301 0.78 ITGB3 (0.42) PPARDPLAUITGB3ITGA2B
SCHEMBL9250408 0.78 CHEK1 (0.38) PLAUITGB3ITGA2BMEN1MAPT
SCHEMBL9254081 0.77 F10 (0.41) PPARDPLAUITGB3ITGA2B
SCHEMBL9251429 0.77 TMPRSS15 (0.36) ITGB3ITGA2B
SCHEMBL9253817 0.77 TMPRSS15 (0.38) ITGB3ITGA2B
SCHEMBL9568559 0.76 F2 (0.41) ITGB3ITGA2B

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