SCHEMBL6972046

SCHEMBL6972046

NNC(=O)c1ccc(-c2ccccn2)s1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.77
HDAC3 O15379 2/20 0.77
HDAC4 P56524 2/20 0.77
HDAC7 Q8WUI4 2/20 0.77
HDAC2 Q92769 2/20 0.77
HDAC10 Q969S8 2/20 0.77
HDAC11 Q96DB2 2/20 0.77
HDAC8 Q9BY41 2/20 0.77
HDAC6 Q9UBN7 2/20 0.77
HDAC9 Q9UKV0 2/20 0.77
HDAC5 Q9UQL6 2/20 0.77
KDM4E B2RXH2 3/20 0.67
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
MAPT P10636 2/20 0.63
PPARG P37231 1/20 0.63
NR2E3 Q9Y5X4 1/20 0.63
NCOR2 Q9Y618 1/20 0.63
GLA P06280 1/20 0.55
CHRNA7 P36544 3/20 0.54

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
SCHEMBL5903774 0.87 HDAC1 (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL8567491 0.84 HDAC1 (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL359879 0.82 KDM4E (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL27623934 0.82 KDM4E (0.77) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7902381 0.81 KDM4E (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5224376 0.80 NPC1 (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL373105 0.80 KDM4E (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL29631004 0.80 KDM4E (1.00) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL7703536 0.79 AKT3 (0.67) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL9374034 0.79 KDM4E (0.73) HDAC1HDAC3HDAC4HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911331-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 2003-10-22 EP disclosed
EP-0911331-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1999-04-28 EP disclosed
US-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US disclosed
EP-0694545-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP disclosed
EP-0694546-A2 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1996-01-31 EP disclosed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US disclosed
US-5378840-A Substituted dibenzoxazepine compounds G. D. SEARLE & CO. (US) 1995-01-03 US disclosed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512400-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed