SCHEMBL20726499

SCHEMBL20726499

CC(C)=C1C(=O)Nc2cc(O)c(-c3ccc([C@H]4CC[C@@H](N)C4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.37
EGFR P00533 2/20 0.34
KDM1A O60341 2/20 0.32
MAOA P21397 1/20 0.31
BRD2 P25440 1/20 0.30
SMYD3 Q9H7B4 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL20726440 0.82 PRKAB2 (0.38)
SCHEMBL20726475 0.76 KDM1A (0.33) KDM1AMAOAKDR
SCHEMBL20726424 0.73 PRKAB2 (0.47) BRD4
SCHEMBL20726403 0.73 CYP3A4 (0.38) BRD4EGFR
SCHEMBL20726384 0.73 PDE3B (0.50) BRD4EGFRKDR
SCHEMBL20726441 0.73 EGFR (0.40) BRD4EGFRBRD2KDR
SCHEMBL20726366 0.72 NEK1 (0.42) BRD4EGFRMAOA
SCHEMBL20726459 0.71 BRD4 (0.38) BRD4EGFRBRD2KDR
SCHEMBL20726393 0.71 EGFR (0.39) BRD4EGFRBRD2KDR
SCHEMBL20726416 0.71 ALOX5 (0.41) BRD4EGFRMAOAKDR

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