SCHEMBL28965461

SCHEMBL28965461

Clc1nc2ccccc2nc1-c1ccc2cccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
NR4A2 P43354 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP3A4 P08684 2/20 0.42
CASP6 P55212 1/20 0.41
PDE10A Q9Y233 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL19816496 0.82 KDM4E (0.63) KDM4EPKML3MBTL1ALDH1A1MEN1
SCHEMBL29995528 0.82 KDM4E (0.63) KDM4EPKML3MBTL1ALDH1A1MEN1
SCHEMBL23027011 0.79 KDM4E (0.59) KDM4EPKML3MBTL1ALDH1A1MEN1
SCHEMBL29485612 0.77 NPC1 (0.68) KDM4ENR4A2ALDH1A1MEN1CASP1
SCHEMBL3726615 0.77 NPC1 (0.68) KDM4ENR4A2ALDH1A1MEN1CASP1
SCHEMBL22425198 0.76 KDM4E (0.61) KDM4EPKML3MBTL1ALDH1A1MEN1
SCHEMBL6033480 0.76 ALDH1A1 (0.46) NR4A2ALDH1A1MEN1CASP1CASP7
SCHEMBL30180896 0.76 KDM4E (0.65) KDM4EPKML3MBTL1ALDH1A1MEN1
SCHEMBL19815632 0.76 KDM4E (0.65) KDM4EPKML3MBTL1ALDH1A1MEN1
SCHEMBL9838799 0.75 ALDH1A1 (0.52) KDM4EPKMNR4A2L3MBTL1ALDH1A1

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
CN-110291066-B Compound and organic electroluminescent element comprising same 株式会社LG化学(KR) 2023-01-13 CN disclosed