SCHEMBL23988465

SCHEMBL23988465

c1ccc(-c2cccc(-c3c4cc(-c5ccccc5)ccc4c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc34)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
MCL1 Q07820 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL24922893 0.95 CA12 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL23879787 0.95 CA12 (0.43) CA12CA1CA2CA9MCL1
SCHEMBL12231078 0.95 CA12 (0.49) CA12CA1CA2CA9MCL1
SCHEMBL30744707 0.95 CA12 (0.49) CA12CA1CA2CA9MCL1
SCHEMBL28360030 0.95 CA12 (0.49) CA12CA1CA2CA9MCL1
SCHEMBL21710729 0.93 MCL1 (0.42) CA12CA1CA2CA9MCL1
SCHEMBL6252047 0.93 CA12 (0.46) CA12CA1CA2CA9MCL1
SCHEMBL20433933 0.92 CA12 (0.51) CA12CA1CA2CA9MCL1
SCHEMBL25968252 0.91 CA12 (0.47) CA12CA1CA2CA9MCL1
SCHEMBL25633604 0.90 CA12 (0.44) 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
US-20210336149-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO.,LTD. (JP) 2021-10-28 US disclosed