SCHEMBL24887441

SCHEMBL24887441

c1ccc2c(-c3ccc(N(c4cccc5c4ccc4c6ccccc6sc54)c4cccc5c4sc4ccccc45)cc3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
F9 P00740 1/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP14 Q460N5 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
PRKDC P78527 2/20 0.32
PPARG P37231 5/20 0.32
PPARA Q07869 5/20 0.32
CYP1A1 P04798 2/20 0.31
CYP1B1 Q16678 2/20 0.31
CYP1A2 P05177 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
SCHEMBL21123740 0.95 F9 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL21096880 0.95 ALOX5 (0.44) ALOX5F9CA12CA1CA2
SCHEMBL24888818 0.94 ALOX5 (0.40) ALOX5F9CA12CA1CA2
SCHEMBL21097241 0.94 ALOX5 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL21097240 0.94 ALOX5 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL24888974 0.93 ALOX5 (0.40) ALOX5F9CA12CA1CA2
SCHEMBL24656940 0.92 ALOX5 (0.37) ALOX5F9CA12CA1CA2
SCHEMBL24825409 0.92 F9 (0.40) ALOX5F9CA12CA1CA2
SCHEMBL12206506 0.92 ALOX5 (0.42) ALOX5F9CA12CA1CA2
SCHEMBL21096866 0.91 ALOX5 (0.44) ALOX5F9CA12CA1CA2

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-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 WO disclosed