SCHEMBL9284665

SCHEMBL9284665

CS(=O)(=O)NCCC(=O)NN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.48
KDM4E B2RXH2 2/20 0.43
KDM5C P41229 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
MAPT P10636 1/20 0.34
HTT P42858 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PTGES O14684 1/20 0.33
GAA P10253 2/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL9282333 0.81 CTSD (0.52) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL21423968 0.80 LMNA (0.43) ALDH1A1LMNACA12CA14MAPT
SCHEMBL3378033 0.77 CA12 (0.45) ALDH1A1LMNACA12CA14MAPT
SCHEMBL7259224 0.75 CA12 (0.41) ALDH1A1LMNACA12CA14HTT
SCHEMBL13451281 0.75 ALDH1A1 (0.43) ALDH1A1LMNACA12CA14MAPT
SCHEMBL27312923 0.73 CTSD (0.81) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL8778377 0.73 CTSD (0.52) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL3156944 0.72 ALDH1A1 (0.37) ALDH1A1CA12CA14MAPTHTT
SCHEMBL18746213 0.72 ALDH1A1 (0.37) ALDH1A1CA12CA14MAPTHTT
SCHEMBL960835 0.72

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 claimed
EP-0583408-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1994-02-23 EP claimed
WO-1992019605-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G. D. SEARLE & CO. (US) 1992-11-12 WO claimed
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
WO-1992019605-A1 SUBSTITUTED DIBENZOXAZEPINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G. D. SEARLE & CO. (US) 1992-11-12 WO disclosed