SCHEMBL9256047

SCHEMBL9256047

CCCc1nc2ccnn2c(O)c1Cc1ccc(-c2sccc2C#N)cc1

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 1/20 0.30

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
SCHEMBL9262894 0.84 PRKAB2 (0.31) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7312739 0.84 PPARG (0.45)
SCHEMBL9262281 0.83 PRKAB2 (0.31) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9264481 0.82 TRPV1 (0.36)
SCHEMBL9257925 0.79 PPARG (0.41)
SCHEMBL9308253 0.78 PPARG (0.31)
SCHEMBL9309562 0.74 PPARG (0.33)
SCHEMBL9262231 0.73 PPARG (0.46)
SCHEMBL9256622 0.73 MBOAT4 (0.37)
SCHEMBL901640 0.72 PRKAB2 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389632-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1995-02-14 US disclosed