SCHEMBL3950417

SCHEMBL3950417

N#Cc1cncc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2ccc(F)c(C#N)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 3/20 0.49
TSHR P16473 2/20 0.49
PKM P14618 3/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.38
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37

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
SCHEMBL3941663 0.90 HTT (0.57) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3943169 0.90 HTT (0.51) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3942926 0.90 HTT (0.51) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3951713 0.90 HTT (0.52) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3951550 0.89 HTT (0.51) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3950821 0.89 HTT (0.52) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3948015 0.88 HTT (0.61) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3948749 0.88 HTT (0.64) HTTSMN1; SMN2KMT2ALMNAMEN1
SCHEMBL3944771 0.87 RXFP1 (0.46) HTTTSHR
SCHEMBL3951390 0.86 HTT (0.53) HTTSMN1; SMN2KMT2ALMNAMEN1

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