SCHEMBL20199406

SCHEMBL20199406

CCOC(=O)/C(=C/C=N)c1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
DHODH Q02127 2/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK1 P28482 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 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
SCHEMBL4884328 0.79 SMN1; SMN2 (0.51) MAPTKDM4ELMNANPC1ALDH1A1
SCHEMBL9324010 0.69 TP53 (0.44) KMT2AMEN1DHODHKDM4ELMNA
SCHEMBL27662263 0.69 TP53 (0.41) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL5261281 0.69 ALOX5 (0.46) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL259469 0.69 GAA (0.51) KMT2AKDM4EALDH1A1GAAHPGD
SCHEMBL7489817 0.68 JAK2 (0.52) MAPTKDM4ELMNANPC1ALDH1A1
SCHEMBL4243696 0.66 MAP2K3 (0.47) KMT2AMEN1DHODHMAPTKDM4E
SCHEMBL858475 0.66 HTT (0.53) KMT2AMEN1DHODHMAPTKDM4E
SCHEMBL28750125 0.66 ALDH1A1 (0.49) MAPTKDM4ELMNANPC1ALDH1A1
SCHEMBL11177529 0.66 AKT1 (0.43) KMT2AMEN1MAPTKDM4ELMNA

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-2018098411-A1 GSK-3 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-31 WO disclosed