SCHEMBL8037982

SCHEMBL8037982

COC(=O)c1ccc(NCc2cccc(Cl)c2)c(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ GAA P10253 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ERAP2 Q6P179 3/20 0.49
▸ LNPEP Q9UIQ6 3/20 0.49
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ PPM1D O15297 2/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ RPS6KB1 P23443 2/20 0.47
▸ PTGER4 P35408 2/20 0.46
▸ CD38 P28907 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ LMNA P02545 1/20 0.45

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
SCHEMBL31237125 0.90 MRGPRX4 (0.57) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4538645 0.86 MAPT (0.54) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL15687652 0.86 CA1 (0.61) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL31072837 0.85 HDAC8 (0.57) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4539438 0.84 ALDH1A1 (0.52) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL4308882 0.84 ABL1 (0.51) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL29343403 0.83 MAPT (0.49) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL8033328 0.83 ALDH1A1 (0.55) ALDH1A1MAPTMRGPRX4PPM1DLOXL2
SCHEMBL8024498 0.81 MAPT (0.53) ALDH1A1MAPTPTGER4LMNAL3MBTL1
SCHEMBL1180032 0.81 LOXL2 (0.53) KDM4EALDH1A1MAPTGAAHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 — — WO disclosed
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