SCHEMBL4636720

SCHEMBL4636720

CCN(CC)c1ccc(NN)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.59
RPS6KA2 Q15349 1/20 0.50
MAPT P10636 9/20 0.49
GFER P55789 6/20 0.49
HTT P42858 4/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
MAPK1 P28482 5/20 0.48
HCRTR1 O43613 1/20 0.48
ALDH1A1 P00352 4/20 0.48
ALOX15 P16050 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL7770385 0.81 S100B (0.55) S100BRPS6KA2MAPTGFERHTT
SCHEMBL3914779 0.81 S100B (0.55) S100BRPS6KA2MAPTGFERHTT
SCHEMBL5437784 0.79 MAPT (0.53) S100BRPS6KA2MAPTGFERHTT
SCHEMBL653134 0.78 MAPT (0.53) S100BRPS6KA2MAPTGFERHTT
SCHEMBL14470087 0.77 S100B (0.50) S100BRPS6KA2MAPTGFERHTT
SCHEMBL8745530 0.77 MAPT (0.63) S100BMAPTGFERHTTLMNA
SCHEMBL10435127 0.77 S100B (0.50) S100BRPS6KA2MAPTGFERHTT
SCHEMBL11742710 0.76 MAPT (0.61) MAPTGFERHTTLMNASMN1; SMN2
SCHEMBL8594962 0.76 RPS6KA2 (0.52) S100BRPS6KA2MAPTGFERHTT
SCHEMBL11421724 0.76 RPS6KA2 (0.52) S100BRPS6KA2MAPTGFERHTT

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-1660032-B1 COMPOSITION FOR DYEING HUMAN KERATIN FIBRES, COMPRISING A 1H-PYRAZOLYL-ETHENYL-INDOLIUM DERIVATIVE OREAL (FR) 2008-07-02 EP disclosed
US-20080000033-A1 Composition for Dyeing Human Keratin Fibres, Comprising a 1H-Pyrazolyl-Ethenyl-Indolium Derivative L'OREAL S.A. (FR) 2008-01-03 US disclosed