SCHEMBL29451603

SCHEMBL29451603

CCOC(=O)[C@@H](C)n1ncc(F)c(Cl)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 5/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
NPBWR1 P48145 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL29451441 1.00 MAPT (0.43) MAPTL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL29451356 0.87 ALDH1A1 (0.45) MAPTL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL29451726 0.87 ALDH1A1 (0.45) MAPTL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL29451803 0.87 MAPT (0.44) MAPTL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL29451452 0.87 MAPT (0.44) MAPTL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL10819066 0.84 NPBWR1 (0.36) MAPTL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL29451818 0.82 MAPT (0.44) MAPTL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL29451957 0.79 MAPT (0.47) MAPTL3MBTL1ALDH1A1KDM4ENPC1
SCHEMBL10818441 0.76 KMO (0.50) MAPTL3MBTL1ALDH1A1NPC1POLB
SCHEMBL29452059 0.76 KDM4E (0.43) MAPTL3MBTL1ALDH1A1KDM4ENPC1

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-2022032144-A1 SUBSTRATE ADAPTOR INHIBITORS OF PRMT5 AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2022-02-10 WO disclosed