SCHEMBL20726465

SCHEMBL20726465

C/C(O)=C1\C(=O)Nc2cc(Cl)c(-c3ccc(N4CCSCC4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 6/20 0.39
PRKAA1 Q13131 6/20 0.39
PRKAB1 Q9Y478 6/20 0.39
PRKAB2 O43741 5/20 0.39
PRKAA2 P54646 5/20 0.39
PRKAG3 Q9UGI9 5/20 0.39
PRKAG2 Q9UGJ0 5/20 0.39
GAA P10253 3/20 0.36
AKR1C3 P42330 1/20 0.34
CHEK1 O14757 2/20 0.34
CNR2 P34972 1/20 0.33
POLB P06746 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 2/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRKDC P78527 1/20 0.32
BRD4 O60885 1/20 0.31

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
SCHEMBL20726352 0.89 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726373 0.88 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726527 0.87 USP2 (0.41) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726517 0.86 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726453 0.84 BRD4 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726455 0.83 PRKAB2 (0.35) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726392 0.83 PRKAG1 (0.47) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726474 0.83 PRKAB2 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726458 0.82 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726502 0.79 BRD4 (0.39) GAACHEK1MAPTALDH1A1BRD4

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