SCHEMBL23960958

SCHEMBL23960958

c1cc(-c2ccc3c(c2)oc2ccccc23)cc(-n2c3cccc4c3c3c5c(cccc5ccc32)-c2ccccc2-4)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.34
PRKDC P78527 1/20 0.33
AHR P35869 2/20 0.33
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.31
DUSP3 P51452 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL24245594 0.91 SIRT2 (0.34) AHRALOX5ALDH1A1HPGDMEN1
SCHEMBL22257587 0.90 SIRT2 (0.36) AHRALDH1A1HPGDKMT2AKDM4E
SCHEMBL21366727 0.90 PTGER4 (0.37) AHRALOX5ALDH1A1HPGDMEN1
SCHEMBL21366644 0.89 TP53 (0.32) ALOX5ALDH1A1HPGDATMTP53
SCHEMBL24245697 0.89 SIRT2 (0.35) AHRALOX5ALDH1A1HPGDMEN1
SCHEMBL21366936 0.87 ALOX5 (0.44) PRKDCALOX5ALDH1A1HPGDKDM4E
SCHEMBL22257418 0.85 SIRT2 (0.36) AHRALDH1A1HPGDKMT2AKDM4E
SCHEMBL22178350 0.85 MMP12 (0.38) HCRTR1PRKDCAHRALOX5ALDH1A1
SCHEMBL21667543 0.85 ALDH1A1 (0.36) AHRALDH1A1HPGDMEN1KMT2A
SCHEMBL22926963 0.85 ABCG2 (0.35) AHRALDH1A1HPGDMEN1KMT2A

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-20210336153-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2021-10-28 US disclosed