SCHEMBL24029595

SCHEMBL24029595

c1ccc2c(-c3ccc(N(c4ccc5c6ccccc6c6ccccc6c5c4)c4cccc5c4sc4ccccc45)cc3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
F9 P00740 1/20 0.39
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
PRKDC P78527 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PARP14 Q460N5 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 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
SCHEMBL26046003 0.95 ALOX5 (0.40) ALOX5F9CA12CA1CA2
SCHEMBL25731103 0.94 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL23239579 0.93 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL26056332 0.93 ALOX5 (0.40) ALOX5F9CA12CA1CA2
SCHEMBL26057261 0.93 ALOX5 (0.40) ALOX5F9CA12CA1CA2
SCHEMBL25730832 0.93 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL21096876 0.93 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL21123746 0.93 F9 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL26063618 0.92 ALOX5 (0.39) ALOX5F9CA12CA1CA2
SCHEMBL21124238 0.92 F9 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021261907-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021230715-A1 ORGANIC LIGHT-EMITTING ELEMENT 주식회사 엘지화학 2021-11-18 WO disclosed