SCHEMBL3944533

SCHEMBL3944533

N#Cc1cccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2cccc(F)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KMT2A Q03164 5/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 3/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 3/20 0.53
PKM P14618 4/20 0.49
KDM4E B2RXH2 1/20 0.46
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.41
TP53 P04637 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
SCHEMBL3944960 0.97 HTT (0.54) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3945166 0.95 HTT (0.57) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3941589 0.94 HTT (0.57) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3945223 0.93 HTT (0.59) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3944398 0.92 HTT (0.60) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3948692 0.92 HTT (0.63) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3951093 0.91 HTT (0.55) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3942926 0.91 HTT (0.51) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3951713 0.91 HTT (0.52) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3952033 0.91 HTT (0.55) HTTSMN1; SMN2KMT2ALMNATSHR

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