SCHEMBL4604266

SCHEMBL4604266

COCCOC(Br)c1ccc2c(C(=O)O)n[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 9/20 0.44
PRKAA1 Q13131 9/20 0.44
PRKAB1 Q9Y478 9/20 0.44
PRKAB2 O43741 8/20 0.44
PRKAA2 P54646 8/20 0.44
PRKAG3 Q9UGI9 8/20 0.44
PRKAG2 Q9UGJ0 8/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 9/20 0.38
IDO1 P14902 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
SCHEMBL4604232 0.87 KDM4E (0.52) KDM4ESMN1; SMN2MAPK1
SCHEMBL5555427 0.78 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL4605493 0.78 CHRNA7 (0.60) KDM4ESMN1; SMN2
SCHEMBL22915231 0.76 EIF4A3 (0.51) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL4602566 0.74 KDM4E (0.53) KDM4ESMN1; SMN2MAPK1
SCHEMBL12393388 0.74 PRKAG1 (0.46) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL5430901 0.73 PRKAG1 (0.52) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL176882 0.70 PRKAG1 (0.66) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL16534080 0.70 KDM4E (0.47) PRKAG1PRKAA1PRKAB1KDM4ESMN1; SMN2
SCHEMBL27757354 0.69 PRKAG1 (0.43) 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