SCHEMBL9263148

SCHEMBL9263148

O=C(O)CCNC(=O)Cc1cccs1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.66
ALDH1A1 P00352 2/20 0.66
RAB9A P51151 2/20 0.63
POLB P06746 3/20 0.59
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
NPC1 O15118 1/20 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
SCHEMBL9282371 0.84 HPGD (0.62) HPGDALDH1A1RAB9APOLBKDM4E
SCHEMBL11627330 0.83 HPGD (0.70) HPGDALDH1A1RAB9APOLBKDM4E
SCHEMBL27905879 0.82 HPGD (0.68) HPGDALDH1A1RAB9APOLBKDM4E
SCHEMBL4682348 0.82 HPGD (0.68) HPGDALDH1A1RAB9APOLBKDM4E
SCHEMBL18542949 0.82 ALDH1A1 (0.70) HPGDALDH1A1RAB9APOLBKDM4E
SCHEMBL8640440 0.82 HPGD (0.68) HPGDALDH1A1RAB9APOLBKDM4E
SCHEMBL10928554 0.81 NPC1 (0.60) HPGDALDH1A1RAB9APOLBTSHR
SCHEMBL11704529 0.80 HPGD (0.74) HPGDALDH1A1RAB9APOLBKDM4E
SCHEMBL28879832 0.79 ALDH1A1 (0.80) HPGDALDH1A1RAB9APOLBKDM4E
SCHEMBL27322979 0.79 LMNA (0.68) HPGDALDH1A1RAB9APOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5393747-A Substituted dibenzoxazepine compounds for the treatment of convulsions, ischemia and other diseases responsive to prostaglandin-E2 antagonists G. D. SEARLE & CO. (US) 1995-02-28 US disclosed
EP-0583408-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP disclosed
US-5283240-A Administering prostaglandin antagonists G. D. SEARLE & CO. (US) 1994-02-01 US disclosed
US-5182272-A 8-substituted-dibenz[b,f][1,4]oxazepine-10(11)-carboxylic acid, substituted hydrazides, pharmaceutical compositions, and methods for treating pain G. D. SEARLE & CO. (US) 1993-01-26 US disclosed
WO-1992019605-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G. D. SEARLE & CO. (US) 1992-11-12 WO disclosed
EP-0512399-A1 Substituted dibenzoxazepine compounds, pharmaceutical compositions and methods of use G.D. Searle & Co. (US) 1992-11-11 EP disclosed