SCHEMBL24029643

SCHEMBL24029643

c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MCL1 Q07820 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TNF P01375 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PPARG P37231 7/20 0.39
PPARA Q07869 7/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL24029660 0.96 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL24029586 0.95 MCL1 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL24029670 0.95 MCL1 (0.44) CA12CA1CA2CA9MCL1
SCHEMBL24029665 0.94 MCL1 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL10051901 0.94 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL23238952 0.94 MCL1 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL23238977 0.94 MCL1 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL23238959 0.94 MCL1 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL16437986 0.94 CA12 (0.50) CA12CA1CA2CA9MCL1
SCHEMBL21124063 0.94 CA12 (0.49) CA12CA1CA2CA9MCL1

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