SCHEMBL20140396

SCHEMBL20140396

COC(=O)c1cc2c(N3CCN(c4ccccc4C#N)CC3)cn(S(=O)(=O)c3ccc(C)cc3)c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.45
DRD4 P21917 4/20 0.44
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALOX5 P09917 3/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
KDM1A O60341 1/20 0.39
GBA1 P04062 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR2A P28223 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39

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
SCHEMBL20141417 0.75 MEN1 (0.48) MEN1KMT2ATP53MAPTALOX5
SCHEMBL20141780 0.73 DRD4 (0.46) DRD4DRD2DRD3KMT2ACYP3A4
SCHEMBL20141590 0.72 HTR6 (0.46) HTR6DRD4DRD2DRD3MEN1
SCHEMBL20139958 0.71 NAMPT (0.53) DRD4DRD2DRD3MEN1KMT2A
SCHEMBL20140911 0.71 HTR6 (0.44) HTR6DRD4DRD2DRD3ALOX5
SCHEMBL20141270 0.71 HTR6 (0.44) HTR6DRD4DRD2DRD3ALOX5
SCHEMBL20139884 0.71 BDKRB1 (0.47) DRD4DRD2DRD3CYP3A4CYP2D6
SCHEMBL20141541 0.70 MTOR (0.48) DRD4DRD2DRD3MAPTKDM4E
SCHEMBL20157267 0.70 DRD4 (0.52) DRD4DRD2DRD3CYP3A4CYP2D6
SCHEMBL20140762 0.69 HTR6 (0.47) HTR6DRD4DRD2DRD3CYP3A4

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