SCHEMBL29451677

SCHEMBL29451677

CCOC(=O)C(C)n1nc(Br)c(Cl)c(Cl)c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
LMNA P02545 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29451655 0.85 KDM4E (0.50) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL29451957 0.83 MAPT (0.47) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL11836241 0.76 HTT (0.43) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL11629008 0.76 MAPT (0.42) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL29451356 0.74 ALDH1A1 (0.45) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL29451726 0.74 ALDH1A1 (0.45) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL29451603 0.73 MAPT (0.43) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL29451441 0.73 MAPT (0.43) MAPTL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL29451821 0.72 TSHR (0.46) L3MBTL1ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL29452261 0.70 ALDH1A1 (0.49) MAPTL3MBTL1ALDH1A1KDM4ELMNA

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