SCHEMBL20726416

SCHEMBL20726416

CCCc1ccc(-c2cc3c(cc2O)NC(=O)C3=C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
MCL1 Q07820 1/20 0.40
EGFR P00533 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR84 Q9NQS5 5/20 0.37
BRD4 O60885 2/20 0.37
KDR P35968 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CHEK1 O14757 3/20 0.35
ADAMTS5 Q9UNA0 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
SCHEMBL20726393 0.80 EGFR (0.39) EGFRBRD4KDRAURKAAURKB
SCHEMBL20726441 0.79 EGFR (0.40) MCL1EGFRBRD4KDR
SCHEMBL20726384 0.79 PDE3B (0.50) EGFRBRD4KDR
SCHEMBL20726459 0.78 BRD4 (0.38) EGFRBRD4KDRAURKAAURKB
SCHEMBL20726370 0.77 ACMSD (0.42) EGFRBRD4KDRAURKAAURKB
SCHEMBL20726366 0.76 NEK1 (0.42) EGFRBRD4MAOAMAOB
SCHEMBL20726436 0.76 EGFR (0.39) EGFRBRD4KDRAURKAAURKB
SCHEMBL20726351 0.74 BRD4 (0.41) EGFRBRD4CHEK1
SCHEMBL20726452 0.72 EGFR (0.40) EGFRGPR84KDRAURKAAURKB
SCHEMBL20726381 0.70 PGR (0.43) EGFRBRD4KDR

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