SCHEMBL29316376

SCHEMBL29316376

Brc1ccc2ccccc2c1-c1cccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.40
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
SOS1 Q07889 1/20 0.38
CES1 P23141 1/20 0.37
ALOX5 P09917 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB2 Q00653 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
SCHEMBL21435732 0.87 ALDH1A1 (0.43) CA12CA1CA2CA9SOS1
SCHEMBL22978414 0.83 MCL1 (0.45) CA12CA1CA2CA9ALOX5
SCHEMBL30150715 0.83 MCL1 (0.45) CA12CA1CA2CA9ALOX5
SCHEMBL25060818 0.83 CA12 (0.38) CA12CA1CA2CA9KDM4E
SCHEMBL369327 0.83 DNMT1 (0.50) DNMT1CA12CA1CA2CA9
SCHEMBL30125426 0.83 DNMT1 (0.50) DNMT1CA12CA1CA2CA9
SCHEMBL25633604 0.82 CA12 (0.44) CA12CA1CA2CA9SOS1
SCHEMBL1389723 0.82 MAOB (0.42) CA12CA1CA2CA9KDM4E
SCHEMBL25060811 0.82 CA12 (0.37) CA12CA1CA2CA9CES1
SCHEMBL22147814 0.82 CA12 (0.46) CA12CA1CA2CA9KDM4E

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-20240237383-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC CO., LTD. (KR) 2024-07-11 US disclosed