SCHEMBL7559296

SCHEMBL7559296

CCCCc1nc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.70
HTT P42858 1/20 0.70
PRKAG1 P54619 1/20 0.59
PRKAA2 P54646 1/20 0.59
PRKAA1 Q13131 1/20 0.59
PRKAB1 Q9Y478 1/20 0.59
CACNA1G O43497 2/20 0.53
CACNA1H O95180 1/20 0.53
PDE10A Q9Y233 1/20 0.51
KMT2A Q03164 2/20 0.49
F10 P00742 1/20 0.45
PARP1 P09874 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2951845 0.95 GAA (0.68) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL9720968 0.94 GAA (0.66) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL6757262 0.94 GAA (0.66) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL8637242 0.90 GAA (0.74) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL2842625 0.83 GAA (0.59) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL8863133 0.82 GAA (1.00) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL9288400 0.82 PRKAG1 (0.61) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL13804897 0.82 GAA (0.58) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL11139248 0.82 GAA (0.48) GAAHTTPRKAG1PRKAA2PRKAA1
SCHEMBL9887037 0.81 GAA (0.58) GAAHTTPRKAG1PRKAA2PRKAA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6464901-B1 IN AQUEOUS SYSTEMS BEING TREATED WITH A HALOGEN BIOCIDE; NONHALOGENATED, NITROGEN CONTAINING, AROMATIC COMPOUNDS; PROVIDING SUBSTITUTION FOR THE HYDROGENS OF THE BENZENE RING OF A BENZOTRIAZOLE BL TECHNOLOGIES, INC. 2002-10-15 US disclosed
EP-1190112-A1 HALOGEN RESISTANT CORROSION INHIBITORS BetzDearborn Inc (US) 2002-03-27 EP disclosed
WO-2000061836-A1 HALOGEN RESISTANT CORROSION INHIBITORS BETZDEARBORN INC. (US) 2000-10-19 WO disclosed
EP-0399732-B1 Benzimidazole derivatives ZENECA LTD (GB) 1995-07-26 EP disclosed
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed
EP-0400835-A1 Substituted benzimidazoles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 EP disclosed
EP-0399732-A1 Benzimidazole derivatives ZENECA LIMITED (GB) 1990-11-28 EP disclosed