SCHEMBL14786282

SCHEMBL14786282

COCCOc1nc(C(=O)OC)c(-n2c(C)ccc2C)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
CFTR P13569 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 1/20 0.37
S1PR4 O95977 1/20 0.36
RBP4 P02753 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14783470 0.90 MYC (0.40) MYCKDM4EALDH1A1HPGDCFTR
SCHEMBL2372871 0.89 CFTR (0.45) MYCKDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL2381481 0.86 CFTR (0.42) MYCKDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL17103826 0.85 CFTR (0.42) MYCKDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL2372346 0.84 CFTR (0.42) MYCKDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL2372480 0.82 CFTR (0.40) MYCKDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL2371652 0.81 CFTR (0.39) MYCKDM4EALDH1A1HPGDCFTR
SCHEMBL2383885 0.80 MYC (0.43) MYCKDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL2372372 0.80 MYC (0.43) MYCKDM4EALDH1A1CFTRSMN1; SMN2
SCHEMBL29699381 0.79 CFTR (0.45) MYCKDM4EALDH1A1CFTRSMN1; SMN2

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-2013038378-A1 Pyridine amide derivatives NOVARTIS AG (CH) 2013-03-21 WO disclosed