SCHEMBL20726527

SCHEMBL20726527

C/C(O)=C1\C(=O)Nc2cc(Cl)c(-c3ccc(N4CCC(C)CC4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
PRKAB2 O43741 7/20 0.39
PRKAG1 P54619 7/20 0.39
PRKAA2 P54646 7/20 0.39
PRKAA1 Q13131 7/20 0.39
PRKAG3 Q9UGI9 7/20 0.39
PRKAG2 Q9UGJ0 7/20 0.39
PRKAB1 Q9Y478 7/20 0.39
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BRCA1 P38398 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
CHEK1 O14757 1/20 0.34

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
SCHEMBL20726517 0.93 PRKAG1 (0.39) USP2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL20726352 0.89 PRKAG1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726458 0.89 PRKAG1 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726373 0.88 PRKAG1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726465 0.87 PRKAG1 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726455 0.85 PRKAB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726453 0.81 BRD4 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726469 0.81 PRKAB2 (0.52) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726392 0.81 PRKAG1 (0.47) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726474 0.81 PRKAB2 (0.48) 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