SCHEMBL31146352

SCHEMBL31146352

c1cc(Nc2ccc(-c3cccc4ccccc34)cc2)cc(-c2cc3ccccc3c3ccccc23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 3/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP11B1 P15538 1/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MPI P34949 1/20 0.41
HSD17B10 Q99714 3/20 0.40
CYP3A4 P08684 2/20 0.40
MCL1 Q07820 2/20 0.40
ACMSD Q8TDX5 1/20 0.40
TSHR P16473 2/20 0.39
TP53 P04637 1/20 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
SCHEMBL24947193 1.00 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL31146385 1.00 CA12 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL31146273 0.94 CYP11B1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL24955987 0.94 CYP11B1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL23471706 0.94 CYP11B1 (0.45) ALDH1A1MAPTCYP11B1HPGDKDM4E
SCHEMBL25088317 0.93 ALDH1A1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL25569229 0.93 HDAC8 (0.46) CA12CA1CA2CA9ALDH1A1
SCHEMBL31016207 0.93 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL24194928 0.93 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL24814696 0.91 CA12 (0.49) CA12CA1CA2CA9ALDH1A1

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-2024228591-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2024-11-07 WO disclosed