SCHEMBL3941663

SCHEMBL3941663

N#Cc1ccc(C2NC(=O)NC(CCc3ccc4c(c3)OCO4)=C2C(=O)OCc2ccc(F)c(C#N)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
KMT2A Q03164 5/20 0.57
TSHR P16473 3/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 3/20 0.57
PKM P14618 3/20 0.55
ALDH1A1 P00352 3/20 0.52
POLB P06746 2/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL3948749 0.95 HTT (0.64) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3948015 0.93 HTT (0.61) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3951713 0.92 HTT (0.52) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3950417 0.90 HTT (0.49) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3951390 0.89 HTT (0.53) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3945223 0.89 HTT (0.59) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3943612 0.89 HTT (0.53) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3947317 0.88 HTT (0.56) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3943169 0.88 HTT (0.51) HTTSMN1; SMN2KMT2ATSHRLMNA
SCHEMBL3942370 0.87 HTT (0.51) HTTSMN1; SMN2KMT2ATSHRLMNA

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