SCHEMBL24744478

SCHEMBL24744478

CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)ccc2-c2c(-c3cccc4ccccc34)ccc3cccc1c23

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA9 Q16790 3/20 0.32
SLC6A9 P48067 1/20 0.32
PIM1 P11309 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MCL1 Q07820 1/20 0.31
ACMSD Q8TDX5 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 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
SCHEMBL24744454 0.97 CA12 (0.34) CA12CA1CA2CA9SLC6A9
SCHEMBL24744447 0.96 CA12 (0.33) CA12CA1CA2CA9SLC6A9
SCHEMBL24744449 0.95 CA12 (0.33) CA12CA1CA2CA9SLC6A9
SCHEMBL24744536 0.93 SLC6A9 (0.34) CA12CA1CA2CA9SLC6A9
SCHEMBL24744155 0.93 CA12 (0.32) CA12CA1CA2CA9SLC6A9
SCHEMBL24744444 0.92 AKR1C3 (0.33) AKR1C3AKR1C2
SCHEMBL24744206 0.91
SCHEMBL24744457 0.89 PDK2 (0.33) AKR1C3AKR1C2
SCHEMBL26870019 0.89 CA12 (0.34) CA12CA1CA2CA9SLC6A9
SCHEMBL24744966 0.88

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-2022260240-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2022-12-15 WO disclosed