SCHEMBL8440662

SCHEMBL8440662

NNC(=O)CCSCc1ccco1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
POLB P06746 6/20 0.60
MAPT P10636 4/20 0.60
HPGD P15428 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 1/20 0.60
PTPN7 P35236 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KMT2A Q03164 3/20 0.57
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL1641498 0.81 TSHR (0.56) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL7589801 0.80 ALDH1A1 (0.54) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL4418032 0.79 NTRK1 (0.48) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL9190764 0.79 POLB (0.55) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL8186141 0.77 ALDH1A1 (0.51) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL2115850 0.75 HPGD (1.00) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL21590087 0.75 ALDH1A1 (0.50) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL21590084 0.75 ALDH1A1 (0.50) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL28635197 0.74 ALDH1A1 (0.57) ALDH1A1POLBMAPTHPGDL3MBTL1
SCHEMBL9374229 0.74 CYP2C19 (0.66) ALDH1A1HPGDL3MBTL1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576315-A Substituted dibenzoxazepine compounds and methods for treating osteoporosis and ischemia G.D. SEARLE & CO. (US) 1996-11-19 US claimed
US-5464830-A ANALGESICS G. D. SEARLE & CO. (US) 1995-11-07 US claimed
EP-0583421-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP claimed
WO-1992019617-A2 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1992-11-12 WO claimed
EP-0583421-B1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SEARLE & CO (US) 1999-06-16 EP disclosed
EP-0512400-B1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use SEARLE & CO (US) 1998-12-02 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