SCHEMBL7043743

SCHEMBL7043743

N#CC(C#N)=C1CC(=O)c2cc(Cl)cc(Cl)c21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EGFR P00533 1/20 0.33
CES1 P23141 1/20 0.32
DNMT1 P26358 1/20 0.32
GPR35 Q9HC97 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
AKR1C4 P17516 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 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
SCHEMBL7049360 0.86 EGFR (0.35) EGFRALDH1A1
SCHEMBL7044988 0.81 KMT2A (0.34) MEN1KMT2AL3MBTL1EGFRKDM4E
SCHEMBL20819702 0.79 EGFR (0.35) EGFR
SCHEMBL29484391 0.79 EGFR (0.35) EGFR
SCHEMBL30414425 0.79 S100A4 (0.40) L3MBTL1EGFRKDM4E
SCHEMBL21851280 0.79 S100A4 (0.40) L3MBTL1EGFRKDM4E
SCHEMBL7049277 0.79 S100A4 (0.40) L3MBTL1EGFRKDM4E
SCHEMBL7046786 0.78 EGFR (0.33) EGFRCES1
SCHEMBL23515574 0.74 EGFR (0.39) EGFR
SCHEMBL22631991 0.74 EGFR (0.32) 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 1 patent. 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