SCHEMBL16069683

SCHEMBL16069683

CNS(=O)(=O)c1ccc(-c2cc3cc(Cc4ccc(C)c(C(=O)O)c4)[nH]c3cc2Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 12/20 0.41
PRKAA2 P54646 12/20 0.41
PRKAB1 Q9Y478 12/20 0.41
PRKAA1 Q13131 11/20 0.41
PRKAB2 O43741 9/20 0.41
PRKAG3 Q9UGI9 9/20 0.41
PRKAG2 Q9UGJ0 9/20 0.41
TFDP2 Q14188 1/20 0.41
KDM4A O75164 2/20 0.39
KDM5A P29375 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
GAA P10253 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
ADAMTS4 O75173 1/20 0.35

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
SCHEMBL16069463 0.90 PRKAG1 (0.44) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL17391625 0.88 PRKAG1 (0.41) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL16069464 0.87 PRKAG1 (0.54) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL16069469 0.85 PRKAG1 (0.42) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL16069459 0.84 PRKAG1 (0.47) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL16069468 0.84 PRKAG1 (0.55) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL16069888 0.83 PRKAG1 (0.52) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL23967734 0.82 PRKAG1 (0.40) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL17391551 0.82 CNR1 (0.40) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2
SCHEMBL23967736 0.82 PRKAG1 (0.41) PRKAG1PRKAA2PRKAB1PRKAA1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014139388-A1 NOVEL INDOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 WO disclosed