SCHEMBL20726403

SCHEMBL20726403

C/C(OF)=C1\C(=O)Nc2cc(O)c(-c3ccc(C4CCCCC4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
HSP90AA1 P07900 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.38
APP P05067 1/20 0.38
BRD4 O60885 2/20 0.36
EPHX2 P34913 2/20 0.34
EGFR P00533 2/20 0.34
ACMSD Q8TDX5 2/20 0.33
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
CHEK1 O14757 2/20 0.33

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 0.82 EGFR (0.39) BRD4EGFRCHEK1
SCHEMBL20726427 0.81 BRD4 (0.42) BRD4EGFRCHEK1
SCHEMBL20726521 0.76 NEK1 (0.31) EGFR
SCHEMBL20726420 0.76 PBK (0.39) EGFRCHEK1
SCHEMBL20726356 0.75 PDE3B (0.35) BRD4EGFRCHEK1
SCHEMBL20726478 0.74 AURKA (0.39) KMT2AEGFRPRKAB2PRKAG1PRKAA2
SCHEMBL20726499 0.73 BRD4 (0.37) BRD4EGFR
SCHEMBL20726364 0.71 GPR84 (0.34) EGFR
SCHEMBL20726351 0.68 BRD4 (0.41) CYP3A4MAPTKMT2ABRD4EGFR
SCHEMBL20726357 0.67 BRD4 (0.40) CYP3A4MAPTKMT2ABRD4EGFR

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