SCHEMBL7048279

SCHEMBL7048279

N#CC(C#N)=C1CC(=C(C#N)C#N)c2c(I)cccc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.33
DYRK1A Q13627 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP2 O95551 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL7043707 0.82 ADORA2A (0.35) EGFRDYRK1AALDH1A1GAAKMT2A
SCHEMBL7049632 0.81 EGFR (0.33) EGFRDYRK1AALDH1A1
SCHEMBL7050655 0.81 CA1 (0.35) EGFRALDH1A1KMT2A
SCHEMBL7046506 0.81 CA1 (0.35) EGFRDYRK1AALDH1A1
SCHEMBL10049831 0.81 ALDH1A1 (0.42) EGFRALDH1A1GAAKMT2A
SCHEMBL255284 0.78 EGFR (0.40) EGFRALDH1A1GAAKMT2A
SCHEMBL29619668 0.78 EGFR (0.40) EGFRALDH1A1GAAKMT2A
SCHEMBL7047198 0.77 MEN1 (0.40) EGFRALDH1A1KMT2A
SCHEMBL10049621 0.75 EGFR (0.40) EGFR
SCHEMBL7049849 0.74 MAPT (0.49) ALDH1A1GAAKMT2A

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