SCHEMBL20726427

SCHEMBL20726427

C/C(OF)=C1\C(=O)Nc2cc(O)c(-c3ccccc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
EGFR P00533 2/20 0.40
BACE1 P56817 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CHEK1 O14757 6/20 0.38
KDR P35968 1/20 0.37
PDPK1 O15530 2/20 0.36
PTGS2 P35354 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 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
SCHEMBL20726451 0.88 EGFR (0.39) BRD4EGFRBACE1MAOAMAOB
SCHEMBL20726403 0.81 CYP3A4 (0.38) BRD4EGFRCHEK1
SCHEMBL20726420 0.80 PBK (0.39) EGFRMAOAMAOBCHEK1KDR
SCHEMBL20726478 0.80 AURKA (0.39) EGFRCHEK1KDR
SCHEMBL20726356 0.79 PDE3B (0.35) BRD4EGFRBACE1CHEK1
SCHEMBL20726364 0.77 GPR84 (0.34) EGFRKDRPTGS2
SCHEMBL20726521 0.76 NEK1 (0.31) EGFR
SCHEMBL20726381 0.71 PGR (0.43) BRD4EGFRKDRPDPK1
SCHEMBL20726382 0.70 EGFR (0.48) EGFRMAOACHEK1KDR
SCHEMBL20726384 0.69 PDE3B (0.50) BRD4EGFRKDR

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