SCHEMBL22989115

SCHEMBL22989115

c1ccc2nc(-n3c4ccc5cccc6oc7cccc8ccc3c(c87)c4c56)c(-c3ccc4c(c3)oc3ccccc34)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR1 O43613 1/20 0.32
PDE10A Q9Y233 3/20 0.32
DUSP3 P51452 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PRKDC P78527 1/20 0.31
ERBB2 P04626 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
GRM4 Q14833 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL23030696 0.93 PRKDC (0.33) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL18877007 0.92 TDP1 (0.36) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL22988947 0.92 ALDH1A1 (0.33) MEN1KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL24596727 0.92 PRKDC (0.32) ALDH1A1HPGDL3MBTL1PRKDCCASP1
SCHEMBL26822954 0.89
SCHEMBL24596750 0.89 PRKDC (0.34) AHRMEN1MAPTKMT2AKDM4E
SCHEMBL24275443 0.89 TDP1 (0.33) AHRMAPTKDM4EL3MBTL1TDP1
SCHEMBL22989111 0.89 PDE10A (0.36) KDM4EALDH1A1HPGDPDE10AL3MBTL1
SCHEMBL23031015 0.88 MEN1 (0.33) MEN1KMT2AALDH1A1L3MBTL1PRKDC
SCHEMBL23030713 0.87 SIRT2 (0.34) MEN1MAPTKMT2AKDM4EALDH1A1

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed