SCHEMBL4194086

SCHEMBL4194086

Cn1c(=O)c(N)c(NCCn2cc[n+](C)c2)n1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
BCHE P06276 1/20 0.39
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
GAA P10253 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL4196867 0.76 BCHE (0.37) PTGS2BCHEKDM4ETSHRGAA
SCHEMBL13746321 0.75 MEN1 (0.38) MAPTRAB9AMEN1APAF1NPC1
SCHEMBL13745443 0.74 MEN1 (0.33) MAPTRAB9AMEN1APAF1NPC1
SCHEMBL5157396 0.71 MAPT (0.39) KDM4EMAPTRAB9AMEN1APAF1
Hydrochloric Acid SCHEMBL6271312 0.70 MAPT (0.38) KDM4EMAPTRAB9AMEN1APAF1
SCHEMBL13745757 0.67 MEN1 (0.37) MAPTRAB9AMEN1APAF1NPC1
SCHEMBL1231730 0.67 PON1 (0.34) MAPTRAB9AMEN1APAF1NPC1
Hydrochloric Acid SCHEMBL4669449 0.66 PON1 (0.33) MAPTRAB9AMEN1APAF1NPC1
Hydrochloric Acid SCHEMBL9937493 0.66 PON1 (0.36) MAPTRAB9AMEN1APAF1NPC1
Hydrochloric Acid SCHEMBL1152302 0.65 PON1 (0.35) MAPTRAB9AMEN1APAF1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098257-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE CATIONIC DIAMINO-N,N-DIHYDROPYRAZOLONE DERIVATIVE L'OREAL (FR) 2009-08-13 WO claimed
WO-2009098257-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE CATIONIC DIAMINO-N,N-DIHYDROPYRAZOLONE DERIVATIVE L'OREAL (FR) 2009-08-13 WO disclosed
WO-2009098257-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE CATIONIC DIAMINO-N,N-DIHYDROPYRAZOLONE DERIVATIVE L'OREAL (FR) 2009-08-13 WO disclosed