SCHEMBL7008377

SCHEMBL7008377

COCOc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c(=O)c2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 17/20 0.42
PRKAG1 P54619 17/20 0.42
PRKAA2 P54646 17/20 0.42
PRKAA1 Q13131 17/20 0.42
PRKAG3 Q9UGI9 17/20 0.42
PRKAG2 Q9UGJ0 17/20 0.42
PRKAB1 Q9Y478 17/20 0.42
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
SCHEMBL7196066 0.91 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7009049 0.81 ALDH1A1 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6714654 0.72 IDO1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6295747 0.71 ABCG2 (0.51)
SCHEMBL7016620 0.70 KIF11 (0.42)
SCHEMBL11203471 0.69 GPR84 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25198348 0.69 CCNT1 (0.45)
SCHEMBL25228250 0.68 TUBB4A (0.48)
SCHEMBL5716984 0.68 ALOX5 (0.41) PTGS1PTGS2
SCHEMBL11204197 0.68 IDO1 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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-1313708-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2003-05-28 EP disclosed
WO-2002018345-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2002-03-07 WO disclosed