SCHEMBL7438513

SCHEMBL7438513

O=C1Nc2ccccc2CCCCC1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.47
MAPK13 O15264 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
AHR P35869 1/20 0.41
PDK2 Q15119 1/20 0.41
PYGL P06737 2/20 0.39
PYGM P11217 2/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 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
SCHEMBL7350629 0.95 MAPT (0.54) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL2214341 0.88 NPC1 (0.52) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL14547899 0.81 MAPT (0.53) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL24859077 0.75 MAPT (0.54) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL22482700 0.75 MAPT (0.54) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL9405630 0.75 MAPT (0.54) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL28979250 0.75 MAPT (0.54) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL2138422 0.73 MAPT (0.92) MAPTNPC1MAPK13MAPK12MAPK11
SCHEMBL29035761 0.73 PYGL (0.39) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL22044245 0.72 MAPT (0.63) MAPTNPC1MAPK13MAPK12MAPK11

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
EP-0119161-B1 BENZAZOCINONE AND BENZAZONINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS, AND THEIR THERAPEUTICAL USE CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed
US-4537885-A SUBSTITUTED 1-CARBOXY-3-(CARBOXYMETHYLAMINO)-2-ONE DERIVATIVES, ANGIOTENSIN CONVERTING ENZYME INHIBITORS CIBA GEIGY CORPORATION (US) 1985-08-27 US disclosed
EP-0119161-A2 Benzazocinone and benzazoninone derivatives, process for their preparation, pharmaceutical preparations containing these compounds, and their therapeutical use CIBA-GEIGY AG (CH) 1984-09-19 EP disclosed
US-4470988-A HYPOTENSIVE AGENTS, ENZYME INHIBITOR, CARDIAC DISORDERS CIBA-GEIGY CORPORATION (US) 1984-09-11 US disclosed