SCHEMBL7863144

SCHEMBL7863144

CCOC(=O)C#CC(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7871106 0.90 MAPT (0.49) MAPTSMN1; SMN2L3MBTL1TDP1ALDH1A1
SCHEMBL31245529 0.80 HPGD (0.53) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL5512976 0.79 HTT (0.55) CYP3A4CYP2C19POLBMAPTNPC1
SCHEMBL7868341 0.77 MAPT (0.40) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL8139201 0.77 HPGD (0.53) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL16637468 0.77 HPGD (0.56) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL2204732 0.76 HPGD (0.57) HPGDCYP1A2CYP3A4CYP2C19POLB
SCHEMBL7868342 0.75 L3MBTL1 (0.43) HPGDCYP1A2CYP2C19POLBMAPT
SCHEMBL7871688 0.75 MEN1 (0.42) HPGDPOLBMAPTSMN1; SMN2L3MBTL1
SCHEMBL267821 0.73 MAPT (0.65) HPGDPOLBMAPTSMN1; SMN2L3MBTL1

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
CN-1084747-C Pyrrolobenzazepine * derivatives as neuroactive agents ZENECA LTD (GB) 2002-05-15 CN disclosed
US-6313290-B1 Azolobenzazepine derivatives and compositions and method of use thereof ZENECA LIMITED (GB) 2001-11-06 US disclosed
US-6124281-A TREATING STROKES ZENECA LIMITED (GB) 2000-09-26 US disclosed
CN-1224424-A Azolobenzazepine derivs. as neurologically active agents ZENECA LTD (GB) 1999-07-28 CN disclosed
EP-0888350-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1999-01-07 EP disclosed
WO-1997032883-A1 AZOLOBENZAZEPINE DERIVATIVES AS NEUROLOGICALLY ACTIVE AGENTS ZENECA LIMITED (GB) 1997-09-12 WO disclosed