SCHEMBL24079294

SCHEMBL24079294

Nc1ccc(-c2ccc(-c3cccc4ccccc34)cc2)c(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA9 Q16790 4/20 0.50
PRKCZ Q05513 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MCL1 Q07820 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TNF P01375 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MPI P34949 1/20 0.42

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
SCHEMBL19579514 1.00 CA12 (0.50) CA12CA1CA2CA9PRKCZ
SCHEMBL29830445 0.98 CA12 (0.52) CA12CA1CA2CA9PRKCZ
SCHEMBL22325646 0.97 CA12 (0.48) CA12CA1CA2CA9PRKCZ
SCHEMBL29473516 0.97 CA12 (0.48) CA12CA1CA2CA9PRKCZ
SCHEMBL29830431 0.95 CA12 (0.50) CA12CA1CA2CA9PRKCZ
SCHEMBL29830467 0.95 CA12 (0.50) CA12CA1CA2CA9PRKCZ
SCHEMBL22325648 0.94 CA12 (0.52) CA12CA1CA2CA9PRKCZ
SCHEMBL26021771 0.92 CDK4 (0.50) CA12CA1CA2CA9PRKCZ
SCHEMBL22325653 0.90 CA12 (0.45) CA12CA1CA2CA9PRKCZ
SCHEMBL22325649 0.89 CA12 (0.45) CA12CA1CA2CA9PRKCZ

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
US-11196004-B2 High-molecular-weight compound having substituted triarylamine skeleton HODOGAYA CHEMICAL CO., LTD. (JP) 2021-12-07 US disclosed