SCHEMBL20726352

SCHEMBL20726352

C/C(O)=C1\C(=O)Nc2cc(Cl)c(-c3ccc(N4CCCCC4)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 5/20 0.40
PRKAA1 Q13131 5/20 0.40
PRKAB1 Q9Y478 5/20 0.40
PRKAB2 O43741 4/20 0.40
PRKAA2 P54646 4/20 0.40
PRKAG3 Q9UGI9 4/20 0.40
PRKAG2 Q9UGJ0 4/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
ERBB2 P04626 1/20 0.38
GAA P10253 1/20 0.37
CHEK1 O14757 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 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
SCHEMBL20726453 0.92 BRD4 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726373 0.90 PRKAG1 (0.48) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726465 0.89 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726527 0.89 USP2 (0.41) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726357 0.89 BRD4 (0.40) BRD4CREBBPERBB2CHEK1MEN1
SCHEMBL20726517 0.88 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726502 0.87 BRD4 (0.39) BRD4CREBBPERBB2GAACHEK1
SCHEMBL20726455 0.85 PRKAB2 (0.35) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726458 0.84 PRKAG1 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL20726349 0.81 ERBB2 (0.41) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2

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