SCHEMBL7868341

SCHEMBL7868341

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.39
KCNMA1 Q12791 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
PSMD14 O00487 1/20 0.37
BLM P54132 1/20 0.37
VCAM1 P19320 1/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL7871688 0.91 MEN1 (0.42) MAPTLMNATDP1NPSR1MEN1
SCHEMBL7823532 0.88 MAPT (0.42) MAPTLMNATDP1KMT2ASMN1; SMN2
SCHEMBL7830193 0.83 ALDH1A1 (0.35) MAPTLMNATDP1NPSR1MEN1
SCHEMBL7815755 0.83 RECQL (0.40) MAPTLMNATDP1NPSR1MEN1
SCHEMBL7827925 0.83 ALDH1A1 (0.50) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL8057711 0.82 HTT (0.49) MAPTLMNATDP1NPSR1MEN1
SCHEMBL7817080 0.81 MAPT (0.41) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL5515200 0.80 ALDH1A1 (0.47) MAPTLMNATDP1MEN1KMT2A
SCHEMBL8071450 0.78 ALDH1A1 (0.47) MAPTLMNATDP1NPSR1MEN1
SCHEMBL7827497 0.78 MAPT (0.46) MAPTLMNATDP1MEN1KMT2A

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