SCHEMBL7963549

SCHEMBL7963549

NC(=O)NCC(=O)c1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.53
OGG1 O15527 1/20 0.52
HDAC1 Q13547 3/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
HAO1 Q9UJM8 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
HPGD P15428 2/20 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
SCHEMBL10187752 0.82 GSK3B (0.55) GSK3BOGG1HDAC1HDAC8HDAC3
SCHEMBL7963547 0.82 GSK3B (0.55) GSK3BOGG1HDAC1HDAC8HDAC3
SCHEMBL3323642 0.81 GSK3B (0.53) GSK3BOGG1HDAC1HDAC8HDAC3
SCHEMBL11155054 0.80 CYP3A4 (0.58) GSK3BMAPTALDH1A1GAACES1
SCHEMBL11558787 0.79 HAO1 (0.54) GSK3BOGG1HDAC1HDAC8HDAC3
SCHEMBL5640455 0.78 GSK3B (0.50) GSK3BOGG1HDAC1HDAC8HDAC3
SCHEMBL12098895 0.78 GSK3B (0.59) GSK3BOGG1HDAC1HDAC8HDAC3
SCHEMBL11060497 0.78 OGG1 (0.63) GSK3BOGG1HDAC1HDAC8HDAC3
SCHEMBL1305020 0.77 GSK3B (0.70) GSK3BOGG1HDAC1HDAC8HDAC3
SCHEMBL21142672 0.77 GSK3B (0.48) GSK3BOGG1HDAC1HDAC8HDAC3

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-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO disclosed