SCHEMBL7049360

SCHEMBL7049360

N#CC(C#N)=C1CC(=C(C#N)C#N)c2c(Cl)cc(Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31

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
SCHEMBL7043743 0.86 MEN1 (0.36) EGFRALDH1A1
SCHEMBL7049632 0.77 EGFR (0.33) EGFRALDH1A1
SCHEMBL7049233 0.76 EGFR (0.38) EGFRALDH1A1CYP3A4TSHRGABRA1
SCHEMBL11587176 0.75 IDO1 (0.37) EGFRALDH1A1CYP3A4TSHRRECQL
SCHEMBL7047507 0.74 EGFR (0.36) EGFR
SCHEMBL10049619 0.73 EGFR (0.32) EGFR
SCHEMBL10049507 0.70 EGFR (0.34) EGFR
SCHEMBL7051502 0.70 UCHL1 (0.33) EGFR
SCHEMBL7049277 0.68 S100A4 (0.40) EGFRCYP3A4TSHRGABRA1GABRG2
SCHEMBL21851280 0.68 S100A4 (0.40) EGFRGABRA1GABRG2GABRB3GABRB1

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