SCHEMBL26488779

SCHEMBL26488779

c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccc7ccccc7c65)c4-c4ccccc4)cc3)c3ccc(-c4cccc5ccccc45)cc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MAPK14 Q16539 1/20 0.33
PDE6D O43924 1/20 0.32
PPARG P37231 7/20 0.31
PPARA Q07869 7/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TNF P01375 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
PPARD Q03181 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CYP1A2 P05177 1/20 0.30
MCL1 Q07820 1/20 0.30
ACMSD Q8TDX5 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 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
SCHEMBL26488458 0.98 PDE6D (0.33) CA12CA1CA2CA9MAPK14
SCHEMBL24948950 0.94 MCL1 (0.34) CA12CA1CA2CA9MAPK14
SCHEMBL26489168 0.94 MCL1 (0.34) CA12CA1CA2CA9MAPK14
SCHEMBL24947066 0.92 CA12 (0.36) CA12CA1CA2CA9MAPK14
SCHEMBL26488936 0.92 CA12 (0.37) CA12CA1CA2CA9MAPK14
SCHEMBL26489389 0.92 MAPK14 (0.31) MAPK14PDE6D
SCHEMBL26489390 0.92 PDE6D (0.30) PDE6D
SCHEMBL24948779 0.92 PDE6D (0.30) PDE6D
SCHEMBL26488367 0.91 CA12 (0.36) CA12CA1CA2CA9MAPK14
SCHEMBL24948533 0.90 MCL1 (0.32) TDP1MCL1ACMSD

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-2023182836-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-28 WO disclosed