SCHEMBL7047553

SCHEMBL7047553

N#CC(C#N)=C1CC(=C(C#N)C#N)c2cc(O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.44
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
UGT1A1 P22309 1/20 0.38
DYRK1A Q13627 1/20 0.36
PBRM1 Q86U86 1/20 0.36
USP7 Q93009 1/20 0.36
USP47 Q96K76 1/20 0.36
AR P10275 6/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL7044981 0.86 EGFR (0.47) EGFRESR1ESR2MAOAMAOB
SCHEMBL7046864 0.83 EGFR (0.38) EGFRESR1ESR2CA1CA2
SCHEMBL10049510 0.79 EGFR (0.38) EGFR
SCHEMBL7045045 0.79 MAPT (0.39) EGFRMAOAMAOBUSP7CA1
SCHEMBL7050692 0.79 EGFR (0.38) EGFRUSP7USP47CA1CA2
SCHEMBL7049233 0.79 EGFR (0.38) EGFRUSP7USP47
SCHEMBL7044925 0.79 EGFR (0.38) EGFR
SCHEMBL255284 0.77 EGFR (0.40) EGFRESR2MAOA
SCHEMBL29619668 0.77 EGFR (0.40) EGFRESR2MAOA
SCHEMBL10049857 0.77 ALDH1A1 (0.40) EGFRARCA1CA2CA9

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