SCHEMBL5707909

SCHEMBL5707909

Cc1cc(N2CCN(CCC[N+]3(C)CCCC3)CC2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
RAD52 P43351 1/20 0.58
KCNH2 Q12809 7/20 0.45
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
Hydrochloric Acid SCHEMBL5707964 0.99 GAA (0.56) GAARAD52KCNH2KDM4EMAPT
SCHEMBL5707924 0.96 GAA (0.54) GAARAD52KCNH2KDM4EMAPT
Hydrochloric Acid SCHEMBL5707952 0.95 GAA (0.53) GAARAD52KCNH2KDM4EMAPT
SCHEMBL6746047 0.90 GAA (0.51) GAARAD52KCNH2KDM4EMAPT
SCHEMBL6744572 0.90 GAA (0.48) GAARAD52KCNH2KDM4EMAPT
Hydrochloric Acid SCHEMBL5352494 0.89 GAA (0.50) GAARAD52KCNH2KDM4EMAPT
Hydrochloric Acid SCHEMBL5355166 0.89 GAA (0.47) GAARAD52KCNH2KDM4EMAPT
SCHEMBL5707920 0.83 KDM4E (0.53) GAARAD52KCNH2KDM4EMAPT
Hydrochloric Acid SCHEMBL5707950 0.82 KDM4E (0.51) GAARAD52KCNH2KDM4EMAPT
SCHEMBL5203962 0.81 GAA (0.65) GAARAD52KCNH2KDM4EMAPT

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-1462445-B1 Paraphenyldiamine derivatives concisting of a cyclic diaza group substituted by a cationic radical and use of these derivatives for dyeing keratin fibres OREAL (FR) 2006-10-18 EP claimed
EP-1462445-B1 Paraphenyldiamine derivatives concisting of a cyclic diaza group substituted by a cationic radical and use of these derivatives for dyeing keratin fibres OREAL (FR) 2006-10-18 EP disclosed