SCHEMBL29452015

SCHEMBL29452015

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KMO O15229 4/20 0.43
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
RIOK1 Q9BRS2 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL29452023 1.00 ALDH1A1 (0.44) ALDH1A1KMOPRMT5WDR77RIOK1
SCHEMBL29452082 1.00 ALDH1A1 (0.44) ALDH1A1KMOPRMT5WDR77RIOK1
SCHEMBL29451637 0.83 PRMT5 (0.39) ALDH1A1KMOPRMT5WDR77RIOK1
SCHEMBL29451475 0.83 PRMT5 (0.39) ALDH1A1KMOPRMT5WDR77RIOK1
SCHEMBL4532201 0.81 ALDH1A1 (0.49) ALDH1A1KMOKDM4EKMT2AHCAR2
SCHEMBL31180570 0.80 KMO (0.38) KMOPRMT5WDR77RIOK1KDM4E
SCHEMBL29452006 0.80 ALDH1A1 (0.44) ALDH1A1KMOKDM4EKMT2AHCAR2
SCHEMBL31015065 0.79 KMO (0.37) KMOPRMT5WDR77RIOK1KMT2A
SCHEMBL29451403 0.75 KDM4E (0.42) ALDH1A1KMOKDM4EKMT2AKDM4C
SCHEMBL29451492 0.73 ALDH1A1 (0.44) ALDH1A1PRMT5WDR77KDM4EKMT2A

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