SCHEMBL5707930

SCHEMBL5707930

Cc1cc(N2CCN(CCn3cc[n+](C)c3)CC2)ccc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
RAD52 P43351 2/20 0.58
MAPT P10636 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
PTK2B Q14289 1/20 0.39
KCNH2 Q12809 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GFER P55789 1/20 0.35
DRD4 P21917 5/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MEN1 O00255 1/20 0.34
APAF1 O14727 1/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34

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 SCHEMBL5707956 0.99 GAA (0.56) GAARAD52MAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL5707958 0.94 GAA (0.52) GAARAD52MAPTKDM4EMAPK1
SCHEMBL6151173 0.93 GAA (0.55) GAARAD52MAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL6410951 0.92 GAA (0.54) GAARAD52MAPTKDM4EMAPK1
SCHEMBL5707933 0.83 MAPT (0.53) GAARAD52MAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL5707970 0.82 MAPT (0.51) GAARAD52MAPTKDM4EMAPK1
SCHEMBL6152146 0.79 GAA (0.47) GAARAD52MAPTKDM4EHTT
SCHEMBL5707960 0.79 GAA (0.47) GAARAD52MAPTKDM4EHTT
SCHEMBL5707917 0.79 MAPT (0.48) GAARAD52MAPTKDM4EMAPK1
Hydrochloric Acid SCHEMBL5707967 0.78 GAA (0.46) GAARAD52MAPTKDM4EHTT

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