SCHEMBL7874865

SCHEMBL7874865

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 8/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
VCAM1 P19320 1/20 0.36
CACNA1C Q13936 2/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL8458726 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL8458731 0.81 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7827925 0.81 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL28768690 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7868342 0.77 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7871688 0.77 MEN1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7868341 0.77 MAPT (0.40) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL12450698 0.76 KMT2A (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL12427995 0.75 L3MBTL1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7823532 0.74 MAPT (0.42) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA

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