SCHEMBL4603741

SCHEMBL4603741

O=C(O)c1n[nH]c2cc(CBr)ccc12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 15/20 0.51
PRKAA1 Q13131 15/20 0.51
PRKAB1 Q9Y478 15/20 0.51
PRKAB2 O43741 14/20 0.51
PRKAA2 P54646 14/20 0.51
PRKAG3 Q9UGI9 14/20 0.51
PRKAG2 Q9UGJ0 14/20 0.51
HAO1 Q9UJM8 1/20 0.47
IDO1 P14902 1/20 0.42
GSK3B P49841 2/20 0.40
CTNNB1 P35222 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL4604740 0.88 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL13375159 0.86 PRKAG1 (0.63) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL11919262 0.84 PRKAG1 (0.51) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL5013950 0.82 KDM4E (0.58)
SCHEMBL5430903 0.82 PRKAG1 (0.53) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27955219 0.81 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL28253844 0.80 PRKAG1 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL261067 0.79 IDO1 (0.62) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL30075258 0.79 IDO1 (0.62) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12879075 0.77 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940833-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
WO-2007038367-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, PYRAZOLOPYRIDINES, ISOTHIAZOLOPYRIDINES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2007-04-05 WO disclosed