SCHEMBL20355773

SCHEMBL20355773

COc1ccccc1Nc1cc(C)nc(CN(C)Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PTPN11 Q06124 1/20 0.45
TP53 P04637 2/20 0.42
MAPK10 P53779 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
EGFR P00533 1/20 0.41
HTT P42858 1/20 0.41
AURKA O14965 1/20 0.41
SLC2A1 P11166 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL24019181 0.87 MAPT (0.45) MAPTGAAKDM4EALDH1A1NPC1
SCHEMBL29621872 0.87 MAPT (0.45) MAPTGAAKDM4EALDH1A1NPC1
SCHEMBL20340714 0.87 MAPT (0.45) MAPTGAAKDM4EALDH1A1NPC1
SCHEMBL20355502 0.81 MAPT (0.63) MAPTKDM4ENPC1RAB9ATP53
SCHEMBL29621781 0.80 MAPT (0.46) MAPTGAAKDM4EALDH1A1NPC1
SCHEMBL24019169 0.80 MAPT (0.46) MAPTGAAKDM4EALDH1A1NPC1
SCHEMBL24019165 0.77 L3MBTL1 (0.67) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL20354985 0.76 POLB (0.50) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL21530439 0.73 ALDH1A1 (0.48) MAPTGAAKDM4EALDH1A1NPC1
SCHEMBL29621851 0.73 ALDH1A1 (0.48) MAPTGAAKDM4EALDH1A1NPC1

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-2018122775-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2018-07-05 WO disclosed