SCHEMBL23936731

SCHEMBL23936731

CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-c2c(ccc3ccc4ccccc4c23)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 5/20 0.34
HPGD P15428 4/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
ATM Q13315 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GLA P06280 1/20 0.33
RARA P10276 1/20 0.33

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
SCHEMBL23936603 0.96 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936072 0.95 MAPT (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936296 0.90 MEN1 (0.34) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936349 0.88 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936141 0.88 ALDH1A1 (0.33) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936030 0.87 HSD17B1 (0.35) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936078 0.86 MEN1 (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936545 0.86 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936415 0.85 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL23936295 0.85 MEN1 (0.35) ALDH1A1MAPTKDM4EHPGDMEN1

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-20210328150-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, ORGANIC ELECTROLUMINESCENT MATERIAL COMPRISING THE SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2021-10-21 US disclosed