SCHEMBL24826862

SCHEMBL24826862

c1ccc2c(N(c3cc4ccccc4c4ccccc34)c3cccc4c3ccc3c5ccccc5oc43)cccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.37
DYRK1A Q13627 1/20 0.35
HPRT1 P00492 3/20 0.35
AHR P35869 3/20 0.35
DUSP3 P51452 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 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
SCHEMBL24825493 0.96 AHR (0.37) ALOX5DYRK1AHPRT1AHRDUSP3
SCHEMBL24825472 0.91 ALOX5 (0.39) ALOX5DYRK1AAHRDUSP3TDP1
SCHEMBL24825979 0.91 CYP1A2 (0.37) ALOX5HPRT1AHRDUSP3TDP1
SCHEMBL25769013 0.91 HPRT1 (0.39) ALOX5HPRT1TDP1L3MBTL1ALDH1A1
SCHEMBL17737614 0.90 ALOX5 (0.39) ALOX5DYRK1AHPRT1AHRTDP1
SCHEMBL18841407 0.90 ALOX5 (0.39) ALOX5DYRK1AHPRT1AHRTDP1
SCHEMBL24825443 0.90 AHR (0.41) ALOX5DYRK1AAHRDUSP3TDP1
SCHEMBL24965064 0.90 ALOX5 (0.45) ALOX5AHRL3MBTL1ALDH1A1HSD17B10
SCHEMBL24886954 0.89 ALOX5 (0.35) ALOX5DYRK1AHPRT1AHRDUSP3
SCHEMBL26046238 0.89 HPRT1 (0.41) ALOX5HPRT1AHRDUSP3TDP1

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-20220416174-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-12-29 US disclosed