SCHEMBL3946673

SCHEMBL3946673

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3942663 0.96 MEN1 (0.47) PKMHTTMAPTALDH1A1MEN1
SCHEMBL3941193 0.94 PKM (0.54) PKMMMP1MMP2MMP9MMP12
SCHEMBL3942037 0.93 TP53 (0.45) PKMTP53
SCHEMBL3952033 0.91 HTT (0.55) PKMHTTMAPTALDH1A1MEN1
SCHEMBL3950668 0.91 TP53 (0.43) PKMTP53
SCHEMBL3945592 0.90 HTT (0.55) PKMHTTMAPTALDH1A1MEN1
SCHEMBL3943436 0.89 TSHR (0.46) HTTTSHR
SCHEMBL3945382 0.88 TP53 (0.46) PKMMMP1MMP2MMP9MMP12
SCHEMBL3945166 0.86 HTT (0.57) PKMHTTMAPTALDH1A1MEN1
SCHEMBL3941781 0.86 TP53 (0.47) 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