SCHEMBL20140683

SCHEMBL20140683

N#Cc1cccc(Br)c1N1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
PGGT1B P53609 2/20 0.44

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
SCHEMBL31640194 0.76 CHRM4 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.76 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.76 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.76 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.76 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31635928 0.75 CHRM4 (0.58) TMEM97SIGMAR1HTR1AADRA2AADRA2B
SCHEMBL15011579 0.75 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.75 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL19212175 0.74 NPSR1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4588232 0.74 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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