SCHEMBL3942926

SCHEMBL3942926

N#Cc1cncc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2cccc(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.51
ALDH1A1 P00352 3/20 0.49
PKM P14618 4/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CTSL P07711 1/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 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
SCHEMBL3951550 0.94 HTT (0.51) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3950821 0.91 HTT (0.52) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3944533 0.91 HTT (0.54) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3945223 0.90 HTT (0.59) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3950417 0.90 HTT (0.49) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3944960 0.88 HTT (0.54) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3947294 0.87 PKM (0.46) KMT2ALMNAMEN1PKM
SCHEMBL3949567 0.86 HTT (0.59) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3944398 0.86 HTT (0.60) HTTSMN1; SMN2KMT2ALMNATSHR
SCHEMBL3948692 0.86 HTT (0.63) 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