SCHEMBL9715259

SCHEMBL9715259

CN1CC(=O)Nc2cccc(Br)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CRBN Q96SW2 1/20 0.40
BRD4 O60885 3/20 0.39
CREBBP Q92793 2/20 0.39
ROCK2 O75116 1/20 0.38
PARP1 P09874 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PBRM1 Q86U86 2/20 0.34
EPHX2 P34913 1/20 0.34
ABCC9 O60706 1/20 0.34
ABCC8 Q09428 1/20 0.34

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
SCHEMBL7142836 0.83 MEN1 (0.47) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL4047908 0.81 CES1 (0.47) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL11193913 0.81 KMT2A (0.46) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL7269697 0.81 KMT2A (0.46) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL30696906 0.81 KMT2A (0.48) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL26677680 0.81 KMT2A (0.48) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL10627797 0.79 MEN1 (0.43) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL10627763 0.78 MEN1 (0.43) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL10654157 0.78 MEN1 (0.43) KMT2AMEN1CRBNBRD4CREBBP
SCHEMBL10964115 0.77 DDB1 (0.42) KMT2AMEN1CRBNPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353754-B1 RADIOACTIVELY MARKED BENZODIAZEPIN DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 1992-12-02 EP disclosed
US-5096695-A Diagnosis of brain disorders, cardiovascular diseases, epilepsy, psychosis HOFFMANN-LAROCHE INC. (US) 1992-03-17 US disclosed
EP-0353754-A2 Radioactively marked benzodiazepin derivates F. HOFFMANN-LA ROCHE AG (CH) 1990-02-07 EP disclosed
EP-0202441-B1 OXADIAZOLYLIMIDAZOBENZODIAZEPINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS A/S FERROSAN (DK) 1988-11-17 EP disclosed
US-4745112-A CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY ANTICONVULSANTS A/S FERROSAN (DK) 1988-05-17 US disclosed
EP-0202441-A1 Oxadiazolylimidazobenzodiazepines, process for their preparation and pharmaceutical compositions A/S FERROSAN (DK) 1986-11-26 EP disclosed
US-4352817-A ANTIDOTE FOR TRANQUILLIZING EFFECTS OF 1,4-BENZODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-10-05 US disclosed
EP-0059389-A1 Imidazodiazepines, process for their preparation and medicines containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-09-08 EP disclosed