SCHEMBL20726480

SCHEMBL20726480

C=C1C(=O)Nc2cc(O)c(-c3ccc(C4(CO)CC4)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 10/20 0.39
PRKAG1 P54619 10/20 0.39
PRKAA2 P54646 10/20 0.39
PRKAA1 Q13131 10/20 0.39
PRKAG3 Q9UGI9 10/20 0.39
PRKAG2 Q9UGJ0 10/20 0.39
PRKAB1 Q9Y478 10/20 0.39
KDR P35968 1/20 0.34
NEK1 Q96PY6 1/20 0.32
PBK Q96KB5 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
CHEK1 O14757 3/20 0.31
KDM1A O60341 1/20 0.31
EGFR P00533 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
SCHEMBL20726365 0.90 PBK (0.41) KDRNEK1PBK
SCHEMBL20726508 0.88 PRKAB2 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726398 0.88 PRKAB2 (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726419 0.87 KDR (0.31) KDRCHEK1
SCHEMBL20726369 0.81 KDR (0.40) PRKAA1KDRCHEK1EGFR
SCHEMBL20726485 0.78 ERCC1 (0.40) KDRCHEK1EGFR
SCHEMBL20726452 0.77 EGFR (0.40) KDRCHEK1EGFR
SCHEMBL20726449 0.77 SLC6A3 (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726377 0.77 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL20726481 0.74 ERBB2 (0.40) KDRCHEK1

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