SCHEMBL7863170

SCHEMBL7863170

CCOC(=O)c1[nH]nnc1C(=O)c1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.46
MAPT P10636 7/20 0.45
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALPL P05186 1/20 0.40

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
SCHEMBL7869910 0.92 KCNMA1 (0.46) KCNMA1MAPTALDH1A1KMT2AMEN1
SCHEMBL7863107 0.85 ALOX15 (0.47) ALDH1A1HTTHPGDALOX15ALPL
SCHEMBL27452003 0.83 ALDH1A1 (0.49) KCNMA1MAPTALDH1A1KMT2AMEN1
SCHEMBL7868379 0.81 ALOX15 (0.50) ALDH1A1KMT2AMEN1PKMHTT
SCHEMBL267821 0.79 MAPT (0.65) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL7871914 0.79 MAPT (0.40) KCNMA1MAPTALDH1A1KMT2AMEN1
SCHEMBL27371673 0.74 HPGD (0.44) KCNMA1ALDH1A1SMN1; SMN2HTTHPGD
SCHEMBL7868349 0.74 MAPT (0.46) KCNMA1MAPTKMT2AMEN1MAPK1
SCHEMBL5508703 0.74 POLB (0.46) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL8119629 0.72 MAPT (0.45) MAPTALDH1A1KMT2AMEN1MAPK1

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