SCHEMBL7871927

SCHEMBL7871927

CCOC(=O)c1[nH]nc(-c2ccccc2)c1C(O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
XBP1 P17861 1/20 0.43
KCNMA1 Q12791 1/20 0.40
MAPT P10636 5/20 0.39
CDC25B P30305 2/20 0.39
HSD17B10 Q99714 1/20 0.39
XPO1 O14980 1/20 0.39
CACNA1D Q01668 1/20 0.39
CSF1R P07333 1/20 0.39
LMNA P02545 4/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7863149 0.86 KCNMA1 (0.44) ALDH1A1HPGDKCNMA1MAPTCDC25B
SCHEMBL7871156 0.83 MAPT (0.39) HPGDKCNMA1MAPTCDC25BXPO1
SCHEMBL7863072 0.80 HPGDS (0.44) HPGDSALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7874904 0.70 MAPT (0.45) ALDH1A1HPGDCYP1A2CYP2C19XBP1
SCHEMBL27408069 0.69 MEN1 (0.38) ALDH1A1HPGDCYP1A2CYP2C19KCNMA1
SCHEMBL27321802 0.69 RAB9A (0.63) HPGDSALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7868349 0.69 MAPT (0.46) HPGDCYP1A2CYP2C19KCNMA1MAPT
SCHEMBL5205743 0.69 PKM (0.45) ALDH1A1HPGDCYP1A2CYP2C19KCNMA1
SCHEMBL7868426 0.68 HPGD (0.50) HPGDSALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL10172532 0.68 HPGDS (0.60) HPGDSALDH1A1HPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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