SCHEMBL24990874

SCHEMBL24990874

c1ccc2c(c1)ccc1ccc3ccc(-c4nc(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HCRTR1 O43613 1/20 0.36
BACE1 P56817 1/20 0.36
DUSP3 P51452 1/20 0.36
AHR P35869 2/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL26048056 0.94 TDP1 (0.42) TDP1L3MBTL1HCRTR1DUSP3AHR
SCHEMBL24930773 0.93 ALDH1A1 (0.41) TDP1L3MBTL1BACE1AHRKDM4E
SCHEMBL26048040 0.90 TDP1 (0.45) TDP1L3MBTL1HCRTR1DUSP3AHR
SCHEMBL24990259 0.89 TDP1 (0.39) TDP1L3MBTL1HCRTR1AHRKDM4E
SCHEMBL26048122 0.89 TDP1 (0.39) TDP1L3MBTL1HCRTR1DUSP3AHR
SCHEMBL26048205 0.89 TDP1 (0.42) TDP1L3MBTL1HCRTR1DUSP3AHR
SCHEMBL24930684 0.89 TDP1 (0.42) TDP1L3MBTL1HCRTR1BACE1AHR
SCHEMBL24991072 0.89 MAPT (0.40) TDP1L3MBTL1BACE1AHRKDM4E
SCHEMBL23821604 0.89 HCRTR1 (0.41) TDP1L3MBTL1HCRTR1BACE1DUSP3
SCHEMBL26435200 0.89 TDP1 (0.43) TDP1L3MBTL1HCRTR1DUSP3AHR

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-2023014190-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-02-09 WO disclosed