SCHEMBL20726478

SCHEMBL20726478

COCCCOc1ccc(-c2cc3c(cc2O)NC(=O)/C3=C(\C)OF)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39
EGFR P00533 2/20 0.35
CHEK1 O14757 6/20 0.35
GPR84 Q9NQS5 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
XDH P47989 2/20 0.32
CHEK2 O96017 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL20726451 0.81 EGFR (0.39) AURKAKDRAURKBEGFRCHEK1
SCHEMBL20726427 0.80 BRD4 (0.42) KDREGFRCHEK1
SCHEMBL20726476 0.76 MMP2 (0.34) AURKAKDRAURKBCHEK1GPR84
SCHEMBL20726420 0.75 PBK (0.39) AURKAKDRAURKBEGFRCHEK1
SCHEMBL20726364 0.74 GPR84 (0.34) AURKAKDRAURKBEGFRGPR84
SCHEMBL20726403 0.74 CYP3A4 (0.38) EGFRCHEK1PRKAB2PRKAG1PRKAA2
SCHEMBL20726414 0.72 MTNR1A (0.45) KDRAURKBEGFRCHEK1PRKAB2
SCHEMBL20726356 0.72 PDE3B (0.35) EGFRCHEK1
SCHEMBL20726372 0.71 HTR3A (0.51)
SCHEMBL16824330 0.68 MGAT2 (0.40) AURKAKDRAURKBCHEK1PRKAB2

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