SCHEMBL7047320

SCHEMBL7047320

N#CC(C#N)=C1CC(=O)c2cccc(Br)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
MAPT P10636 5/20 0.34
KMT2A Q03164 3/20 0.34
MCL1 Q07820 2/20 0.34
RECQL P46063 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 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
SCHEMBL7046506 0.85 CA1 (0.35) CA1CA2CA7CA9ALDH1A1
SCHEMBL7051094 0.81 CA1 (0.39) CA1CA2CA7CA9MAPT
SCHEMBL7044988 0.81 KMT2A (0.34) MAPTKMT2AMCL1RECQLRXFP1
SCHEMBL31071019 0.80 EGFR (0.30) EGFR
SCHEMBL7043674 0.78 MEN1 (0.43) CA1CA2CA7CA9MAPT
SCHEMBL7051549 0.77 MAPT (0.61) CA1CA2CA7CA9MAPT
SCHEMBL806906 0.76 MAPT (0.38) MAPTKMT2AALDH1A1PIM1MEN1
SCHEMBL29444282 0.76 MAPT (0.38) MAPTKMT2AALDH1A1PIM1MEN1
SCHEMBL30464047 0.75 MAPT (0.37) MAPTKMT2AALDH1A1PIM1MEN1
Ammonia Solution, Strong SCHEMBL29011557 0.75 MAPT (0.37) MAPTKMT2AALDH1A1PIM1MEN1

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