SCHEMBL5707941

SCHEMBL5707941

C[N+](C)(C)CCCN1CCCN(c2ccc(N)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
MAPT P10636 5/20 0.53
GAA P10253 4/20 0.53
GFER P55789 3/20 0.53
RAD52 P43351 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
ADRA2C P18825 1/20 0.49
PTK2B Q14289 1/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 2/20 0.46
THRB P10828 2/20 0.46
RECQL P46063 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46

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 SCHEMBL5707957 0.99 KDM4E (0.51) KDM4EMAPTGAAGFERRAD52
SCHEMBL5707955 0.94 MAPT (0.58) KDM4EMAPTGAAGFERRAD52
Hydrochloric Acid SCHEMBL5707951 0.93 MAPT (0.57) KDM4EMAPTGAAGFERRAD52
SCHEMBL5707929 0.92 MAPT (0.55) KDM4EMAPTGAAGFERRAD52
Hydrochloric Acid SCHEMBL5707968 0.90 MAPT (0.54) KDM4EMAPTGAAGFERRAD52
SCHEMBL5203955 0.85 MAPT (0.59) KDM4EMAPTGAAGFERRAD52
Hydrochloric Acid SCHEMBL5364971 0.84 MAPT (0.62) KDM4EMAPTGAAGFERRAD52
Hydrochloric Acid SCHEMBL6418329 0.84 MAPT (0.60) KDM4EMAPTGAAGFERRAD52
SCHEMBL5707908 0.83 GAA (0.58) KDM4EMAPTGAARAD52ALDH1A1
Hydrochloric Acid SCHEMBL5707937 0.82 GAA (0.56) KDM4EMAPTGAARAD52ALDH1A1

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