SCHEMBL24825722

SCHEMBL24825722

c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4cccc5ccc6c7ccccc7oc6c45)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
CYP1A2 P05177 2/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
CYP19A1 P11511 1/20 0.32
PRKDC P78527 1/20 0.31
GGPS1 O95749 1/20 0.31
ERBB2 P04626 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 1/20 0.31
CYP11B1 P15538 1/20 0.30

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
SCHEMBL24826691 0.95 ALOX5 (0.36) ALOX5CYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL26020260 0.94 ALOX5 (0.35) ALOX5CYP19A1PRKDCGGPS1
SCHEMBL22155818 0.92 ALOX5 (0.46) ALOX5CYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL24826549 0.92 CYP1A2 (0.35) ALOX5CYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL24825721 0.92 ALOX5 (0.38) ALOX5CYP1A2CYP19A1PRKDCGGPS1
SCHEMBL22155806 0.92 ALOX5 (0.36) ALOX5CYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL22155753 0.92 ALOX5 (0.36) ALOX5CYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL24826684 0.91 ALOX5 (0.40) ALOX5CYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL24826558 0.91 ALOX5 (0.36) ALOX5CYP1A2PRKDCERBB2FYN
SCHEMBL24825719 0.91 ALOX5 (0.39) ALOX5CYP1A2CYP1A1CYP1B1CYP19A1

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