SCHEMBL7044988

SCHEMBL7044988

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

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MAPT P10636 3/20 0.34
MCL1 Q07820 2/20 0.34
RECQL P46063 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NSD2 O96028 1/20 0.33
ADORA2A P29274 1/20 0.33
GRIA1 P42261 2/20 0.32
CACNG8 Q8WXS5 2/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
DYRK1A Q13627 1/20 0.31
PDK2 Q15119 1/20 0.30
EGFR P00533 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21851269 0.88 MAPT (0.34) KMT2AMAPTMCL1RECQLRXFP1
SCHEMBL7049632 0.85 EGFR (0.33) ALDH1A1DYRK1APDK2EGFR
SCHEMBL7046786 0.81 EGFR (0.33) EGFR
SCHEMBL7051094 0.81 CA1 (0.39) KMT2AMAPTMCL1RECQLRXFP1
SCHEMBL7047320 0.81 CA1 (0.39) KMT2AMAPTMCL1RECQLRXFP1
SCHEMBL7043743 0.81 MEN1 (0.36) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL7043674 0.78 MEN1 (0.43) KMT2AMAPTADORA2AKDM4EALDH1A1
SCHEMBL7051549 0.77 MAPT (0.61) KMT2AMAPTMCL1RECQLRXFP1
SCHEMBL806906 0.76 MAPT (0.38) KMT2AMAPTKDM4EALDH1A1MEN1
SCHEMBL29444282 0.76 MAPT (0.38) KMT2AMAPTKDM4EALDH1A1MEN1

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