SCHEMBL3948015

SCHEMBL3948015

N#Cc1cc(COC(=O)C2=C(CCc3ccc4c(c3)OCO4)NC(=O)NC2c2ccccc2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 3/20 0.55
LMNA P02545 3/20 0.55
TSHR P16473 2/20 0.55
MEN1 O00255 2/20 0.55
PKM P14618 2/20 0.54
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45

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 0.94 HTT (0.64) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3951390 0.93 HTT (0.53) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3941663 0.93 HTT (0.57) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3951713 0.93 HTT (0.52) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3943612 0.93 HTT (0.53) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3943169 0.91 HTT (0.51) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3946405 0.91 HTT (0.52) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3950417 0.88 HTT (0.49) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3942911 0.87 HTT (0.63) HTTSMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL3949273 0.87 HTT (0.67) HTTSMN1; SMN2ALDH1A1KMT2ALMNA

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