SCHEMBL29451680

SCHEMBL29451680

CCc1c(Cl)cnn(C(C)C(=O)OC)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.35
HPGD P15428 2/20 0.35
ALDH1A1 P00352 6/20 0.34
NPC1 O15118 5/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
RAB9A P51151 3/20 0.34
HTT P42858 3/20 0.34
S1PR4 O95977 2/20 0.34
S1PR1 P21453 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PAX8 Q06710 1/20 0.34
MCHR1 Q99705 3/20 0.34

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
SCHEMBL29451959 0.85 ALDH1A1 (0.40) NPBWR1HPGDALDH1A1NPC1MAPT
SCHEMBL29451634 0.83 ALDH1A1 (0.41) HPGDALDH1A1NPC1MAPTKDM4E
SCHEMBL29452152 0.83 ALDH1A1 (0.41) HPGDALDH1A1NPC1MAPTKDM4E
SCHEMBL29451809 0.80 HPGD (0.35) NPBWR1HPGDALDH1A1NPC1MAPT
SCHEMBL29452036 0.79 MAPT (0.41) NPBWR1HPGDALDH1A1NPC1MAPT
SCHEMBL29451818 0.75 MAPT (0.44) NPBWR1HPGDALDH1A1NPC1MAPT
SCHEMBL29451726 0.75 ALDH1A1 (0.45) NPBWR1HPGDALDH1A1NPC1MAPT
SCHEMBL29451356 0.75 ALDH1A1 (0.45) NPBWR1HPGDALDH1A1NPC1MAPT
SCHEMBL29451445 0.73 ALDH1A1 (0.34) HPGDALDH1A1NPC1MAPTKDM4E
SCHEMBL29451475 0.71 PRMT5 (0.39) HPGDALDH1A1NPC1MAPTKDM4E

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