SCHEMBL24816487

SCHEMBL24816487

c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3)cc2)c2ccc3c(ccc4ccccc43)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
MCL1 Q07820 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP1B1 Q16678 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MPI P34949 1/20 0.36
KMT2A Q03164 1/20 0.36
ENPP3 O14638 1/20 0.36
ENPP1 P22413 1/20 0.36

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
SCHEMBL24919304 0.96 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL26055009 0.96 MCL1 (0.44) CA12CA1CA2CA9MCL1
SCHEMBL23239393 0.95 MCL1 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL23238255 0.95 MCL1 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL26054824 0.95 CA12 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL25089232 0.95 CA12 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL23239479 0.95 MCL1 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL23237576 0.95 MCL1 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL26055595 0.94 MCL1 (0.45) CA12CA1CA2CA9MCL1
SCHEMBL26063175 0.94 MCL1 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022270296-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2022-12-29 WO disclosed