SCHEMBL22868580

SCHEMBL22868580

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5ccc6c(c45)-c4ccccc4C6(c4ccccc4)c4ccccc4)n3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
OPRK1 P41145 1/20 0.36
TSHR P16473 3/20 0.34
ALOX15 P16050 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
PDE6D O43924 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
MAPK1 P28482 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 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
SCHEMBL22868810 0.97 KDM4E (0.37) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868962 0.96 MAPT (0.35) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868872 0.91 MAPT (0.39) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868991 0.89 MAPT (0.35) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868812 0.88 TSHR (0.34) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL17932681 0.88 MEN1 (0.40) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL21394083 0.88 MEN1 (0.40) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL17932722 0.88 MEN1 (0.40) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL17932738 0.88 MEN1 (0.40) MAPTMEN1KMT2AKDM4ELMNA
SCHEMBL22868892 0.87 MEN1 (0.36) MAPTMEN1KMT2AKDM4ELMNA

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
US-20210005822-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2021-01-07 US disclosed