SCHEMBL29451637

SCHEMBL29451637

COC(=O)[C@H](C)n1ncc(Cl)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
RIOK1 Q9BRS2 1/20 0.39
KMO O15229 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 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
SCHEMBL29451475 1.00 PRMT5 (0.39) PRMT5WDR77RIOK1KMOKDM4E
SCHEMBL29452082 0.83 ALDH1A1 (0.44) PRMT5WDR77RIOK1KMOKDM4E
SCHEMBL29452023 0.83 ALDH1A1 (0.44) PRMT5WDR77RIOK1KMOKDM4E
SCHEMBL29452015 0.83 ALDH1A1 (0.44) PRMT5WDR77RIOK1KMOKDM4E
SCHEMBL31180570 0.77 KMO (0.38) PRMT5WDR77RIOK1KMOKDM4E
SCHEMBL29451634 0.76 ALDH1A1 (0.41) PRMT5WDR77KDM4ENPC1ALDH1A1
SCHEMBL29452152 0.76 ALDH1A1 (0.41) PRMT5WDR77KDM4ENPC1ALDH1A1
SCHEMBL31015065 0.75 KMO (0.37) PRMT5WDR77RIOK1KMOKMT2A
SCHEMBL16584237 0.73 KDM4E (0.38) KDM4ENPC1ALDH1A1NPSR1KMT2A
SCHEMBL16584238 0.73 KDM4E (0.38) KDM4ENPC1ALDH1A1NPSR1KMT2A

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