SCHEMBL20140437

SCHEMBL20140437

COC(=O)c1nc(Cl)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 8/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ALPL P05186 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 2/20 0.38
RCE1 Q9Y256 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
CGAS Q8N884 1/20 0.37
NQO2 P16083 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL22366827 0.88 NPSR1 (0.45) NPSR1KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL28043598 0.88 NPSR1 (0.45) NPSR1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL23673380 0.86 NPSR1 (0.44) NPSR1KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL31586538 0.86 NPSR1 (0.44) NPSR1KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL19028097 0.85 NPSR1 (0.42) NPSR1KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL30083653 0.85 NPSR1 (0.42) NPSR1KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL31214243 0.82 CFTR (0.41) NPSR1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL21679244 0.82 NPSR1 (0.40) NPSR1KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL31586448 0.81 NPSR1 (0.39) NPSR1KEAP1NFE2L2ALDH1A1KDM4E
SCHEMBL31586781 0.81 NPSR1 (0.39) NPSR1KEAP1NFE2L2ALDH1A1KDM4E

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed