SCHEMBL3942663

SCHEMBL3942663

N#Cc1cccc(COC(=O)C2=C(CCc3cccc(Cl)c3)NC(=O)NC2c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.47
THRB P10828 1/20 0.47
PKM P14618 1/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 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
SCHEMBL3946673 0.96 PKM (0.44) MEN1KMT2ATP53THRBPKM
SCHEMBL3941193 0.92 PKM (0.54) MEN1KMT2ATP53THRBPKM
SCHEMBL3942037 0.90 TP53 (0.45) TP53PKM
SCHEMBL3942229 0.90 PKM (0.55) MEN1KMT2ATP53THRBPKM
SCHEMBL3950668 0.89 TP53 (0.43) TP53PKM
SCHEMBL3947411 0.88 MEN1 (0.50) MEN1KMT2APKM
SCHEMBL3945592 0.87 HTT (0.55) MEN1KMT2ATP53PKMMAPT
SCHEMBL3952033 0.87 HTT (0.55) MEN1KMT2ATP53PKMMAPT
SCHEMBL3943436 0.87 TSHR (0.46) HTT
SCHEMBL3942911 0.87 HTT (0.63) MEN1KMT2APKMALDH1A1SMN1; SMN2

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