SCHEMBL30100716

SCHEMBL30100716

CCC1(C)Cc2ccccc2N(Cc2ccc(OC)cc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASP3 P42574 2/20 0.50
APAF1 O14727 1/20 0.50
GAA P10253 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
SCN9A Q15858 2/20 0.49
CMA1 P23946 1/20 0.48
GSK3B P49841 3/20 0.46
GSK3A P49840 2/20 0.46
ALDH1A1 P00352 2/20 0.45
OPRL1 P41146 1/20 0.45
BLM P54132 1/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.43
SMPD1 P17405 1/20 0.43

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
SCHEMBL23674985 1.00 L3MBTL1 (0.52) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL26086688 0.88 L3MBTL1 (0.54) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL5218062 0.87 L3MBTL1 (0.49) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL30100711 0.84 L3MBTL1 (0.53) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL16163267 0.84 L3MBTL1 (0.53) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL16163258 0.82 L3MBTL1 (0.51) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL14938439 0.77 MEN1 (0.71) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL17377477 0.76 SCN9A (0.63) L3MBTL1CASP3SCN9ACMA1GSK3B
SCHEMBL30100689 0.76 POLB (0.71) L3MBTL1MEN1KMT2ACASP3APAF1
SCHEMBL30100692 0.76 POLB (0.71) L3MBTL1MEN1KMT2ACASP3APAF1

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
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed