SCHEMBL3941193

SCHEMBL3941193

N#Cc1cccc(COC(=O)C2=C(CCc3cccc(Cl)c3)NC(=O)NC2c2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
KMT2A Q03164 3/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MEN1 O00255 2/20 0.40
IDE P14735 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL3946673 0.94 PKM (0.44) PKMKMT2AMMP1MMP2MMP9
SCHEMBL3942663 0.92 MEN1 (0.47) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL3942037 0.89 TP53 (0.45) PKMTP53
SCHEMBL3944160 0.89 PKM (0.54) PKMTP53
SCHEMBL3945068 0.88 PKM (0.61) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL3944960 0.88 HTT (0.54) PKMKMT2AMEN1ALDH1A1MAPT
SCHEMBL3950668 0.87 TP53 (0.43) PKMTP53
SCHEMBL3952481 0.87 PKM (0.54) PKMHTT
SCHEMBL3942854 0.86 PKM (0.55) PKMKMT2AMEN1ALDH1A1HTT
SCHEMBL3952013 0.86 PKM (0.56) PKMTP53

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-2009020457-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-02-12 WO disclosed