SCHEMBL588

SCHEMBL588

O=C1NCCc2c1c1ccccc1n2Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.69
ALB P02768 3/20 0.69
ACHE P22303 2/20 0.69
BRD4 O60885 4/20 0.58
BRD2 P25440 1/20 0.55
BRD3 Q15059 1/20 0.55
CREBBP Q92793 1/20 0.55

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
SCHEMBL14896147 0.84 HDAC6 (0.72)
SCHEMBL1268 0.83 BCHE (0.62) BCHEALBACHEBRD4BRD2
SCHEMBL1391 0.83 BRD4 (0.64) BCHEALBACHEBRD4BRD2
SCHEMBL14903172 0.83 BRD4 (0.55) BCHEALBACHEBRD4BRD2
SCHEMBL14895799 0.83 BRD4 (0.55) BCHEALBACHEBRD4BRD2
SCHEMBL10155034 0.82 BCHE (0.67) BCHEALBACHE
SCHEMBL14895798 0.81 BRD4 (0.53) BCHEALBACHEBRD4BRD2
SCHEMBL10155031 0.80 BCHE (0.66) BCHEALBACHE
SCHEMBL10155030 0.80 BCHE (0.60) BCHEALBACHE
SCHEMBL30480036 0.79 HDAC1 (0.70) BCHEALBACHEBRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0306323-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1994-09-21 EP disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP disclosed