SCHEMBL7863149

SCHEMBL7863149

CCOC(=O)c1n[nH]c(C(=O)OCC)c1C(O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.44
MAPT P10636 7/20 0.43
LMNA P02545 4/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NR2F2 P24468 1/20 0.41
ALOX15 P16050 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDC25B P30305 2/20 0.38
ALPL P05186 1/20 0.38
XPO1 O14980 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL7871156 0.87 MAPT (0.39) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL7871927 0.86 HPGDS (0.43) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL7868349 0.78 MAPT (0.46) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL7874904 0.74 MAPT (0.45) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL7869910 0.71 KCNMA1 (0.46) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL27408069 0.71 MEN1 (0.38) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL5205743 0.69 PKM (0.45) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL18795102 0.69 ALDH1A1 (0.44) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL7863171 0.69 HPGD (0.43) KCNMA1MAPTLMNAKMT2AMEN1
SCHEMBL7863170 0.69 KCNMA1 (0.46) KCNMA1MAPTLMNAKMT2AMEN1

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