SCHEMBL7868342

SCHEMBL7868342

CCOC(=O)C#CC(=O)c1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
VCAM1 P19320 1/20 0.38
CACNA1C Q13936 2/20 0.38
GAA P10253 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL7874865 0.77 SMN1; SMN2 (0.39) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7863144 0.75 HPGD (0.48) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL7871106 0.75 MAPT (0.49) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL3503761 0.72 TDP1 (0.53) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL25170030 0.72 TDP1 (0.53) L3MBTL1TDP1ALDH1A1MEN1KMT2A
Ethyl Acetate SCHEMBL27304156 0.72 RAB9A (0.47) L3MBTL1ALDH1A1MEN1KMT2ALMNA
SCHEMBL28768690 0.71 ALDH1A1 (0.47) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL1612194 0.71 MAPT (0.59) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL22065260 0.71 ALDH1A1 (0.51) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL6818493 0.71 RAB9A (0.42) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2

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