SCHEMBL3942854

SCHEMBL3942854

N#Cc1cccc(COC(=O)C2=C(CCc3ccccc3C#N)NC(=O)NC2c2cccc(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.55
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL3941193 0.86 PKM (0.54) PKMHTTALDH1A1MEN1KMT2A
SCHEMBL3944960 0.85 HTT (0.54) PKMHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3944160 0.85 PKM (0.54) PKM
SCHEMBL3952481 0.85 PKM (0.54) PKMHTTTSHR
SCHEMBL3950731 0.85 PKM (0.38) PKMHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3944723 0.84 SMN1; SMN2 (0.40) PKMHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3942715 0.83 RXFP1 (0.48) PKMHTTSMN1; SMN2MEN1KMT2A
SCHEMBL13941778 0.82 GAA (0.48) PKMHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL3944533 0.82 HTT (0.54) PKMHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4533026 0.82 PKM (0.52) PKMHTTTSHR

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