SCHEMBL7046786

SCHEMBL7046786

N#CC(C#N)=C1CC(=O)c2ccc(Cl)c(Cl)c21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.33
CES1 P23141 2/20 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
SCHEMBL7047507 0.85 EGFR (0.36) EGFR
SCHEMBL7044988 0.81 KMT2A (0.34) EGFR
SCHEMBL7043743 0.78 MEN1 (0.36) EGFRCES1
SCHEMBL7050811 0.75 TDP2 (0.42) EGFR
SCHEMBL28967605 0.75 EGFR (0.33) EGFR
SCHEMBL20819702 0.73 EGFR (0.35) EGFR
SCHEMBL29484391 0.73 EGFR (0.35) EGFR
SCHEMBL30414425 0.73 S100A4 (0.40) EGFR
SCHEMBL21851280 0.73 S100A4 (0.40) EGFR
SCHEMBL7049277 0.73 S100A4 (0.40) EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed