SCHEMBL24825628

SCHEMBL24825628

c1ccc2c(-c3ccc(N(c4cccc5ccccc45)c4cccc5ccc6c7ccccc7oc6c45)cc3)cccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.38
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ENPP1 P22413 2/20 0.33
ENPP3 O14638 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PRKDC P78527 2/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL24887161 0.95 ALOX5 (0.38) ALOX5TDP1L3MBTL1ENPP1ENPP3
SCHEMBL24825634 0.95 ALOX5 (0.40) ALOX5TDP1L3MBTL1ENPP1ENPP3
SCHEMBL24825633 0.93 ALOX5 (0.37) ALOX5TDP1L3MBTL1ENPP1ENPP3
SCHEMBL27337399 0.93 ALOX5 (0.39) ALOX5TDP1L3MBTL1ENPP1ENPP3
SCHEMBL24887385 0.93 ALOX5 (0.38) ALOX5TDP1L3MBTL1ENPP1ENPP3
SCHEMBL24825627 0.92 ALOX5 (0.38) ALOX5TDP1L3MBTL1ENPP1ENPP3
SCHEMBL24826671 0.92 ALOX5 (0.38) ALOX5TDP1L3MBTL1ENPP1ENPP3
SCHEMBL24825477 0.91 ALOX5 (0.41) ALOX5ENPP1ENPP3KDM4EALDH1A1
SCHEMBL24825630 0.90 ALOX5 (0.39) ALOX5TDP1L3MBTL1ENPP1ENPP3
SCHEMBL20435219 0.90 ALOX5 (0.44) ALOX5TDP1L3MBTL1KDM4EALDH1A1

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