SCHEMBL30490392

SCHEMBL30490392

Brc1cccc(-c2cccc3ccccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
MCL1 Q07820 1/20 0.46
ACMSD Q8TDX5 1/20 0.46
BIRC5 O15392 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 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
SCHEMBL29521527 1.00 MAOB (0.47) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL1040847 1.00 MAOB (0.47) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL14981729 0.96 BIRC5 (0.47) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL15197458 0.91 CA12 (0.56) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL1527551 0.91 HPRT1 (0.50) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL15197473 0.91 CA12 (0.56) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL20598790 0.90 ALDH1A1 (0.43) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL15197467 0.89 CA12 (0.55) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL16683256 0.88 MAOB (0.41) MAOBMAOAMCL1ACMSDBIRC5
SCHEMBL22515847 0.86 HDAC8 (0.46) MCL1ACMSDCA12CA1CA2

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
CN-116491242-A Organic light-emitting element comprising novel organic compound in light-emitting layer SFC株式会社 2023-07-25 CN disclosed