SCHEMBL20726469

SCHEMBL20726469

C/C(O)=C1\C(=O)Nc2cc(Cl)c(-c3ccc(C4CCN(C)CC4)cc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 11/20 0.52
PRKAG1 P54619 11/20 0.52
PRKAA2 P54646 11/20 0.52
PRKAA1 Q13131 11/20 0.52
PRKAG3 Q9UGI9 11/20 0.52
PRKAG2 Q9UGJ0 11/20 0.52
PRKAB1 Q9Y478 11/20 0.52
BRD9 Q9H8M2 1/20 0.41
P2RY14 Q15391 1/20 0.38
QDPR P09417 1/20 0.37
TNKS O95271 3/20 0.37
PARP1 P09874 3/20 0.37
TNKS2 Q9H2K2 3/20 0.37
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
LSS P48449 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
SCHEMBL20726413 0.94 PRKAB2 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726464 0.90 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726388 0.86 PRKAB2 (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726400 0.85 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726426 0.84 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726440 0.83 PRKAB2 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726431 0.83 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16815813 0.82 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16815814 0.82 PRKAB2 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
Hydrochloric Acid SCHEMBL30629893 0.82 PRKAB2 (0.46) 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
EP-3083611-B1 OXINDOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE IN THE TREATMENT OF AMPK-RELATED DISEASES SANOFI SA (FR) 2019-02-13 EP disclosed