SCHEMBL13746202

SCHEMBL13746202

C[n+]1ccn(CCNc2c([N+](=O)[O-])c(=O)n3n2CCC3)c1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
PLA2G1B P04054 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATG4B Q9Y4P1 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
SCHEMBL13745443 0.82 MEN1 (0.33) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL13746408 0.80 MEN1 (0.32) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL13745757 0.76 MEN1 (0.37) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL2928792 0.73 SMN1; SMN2 (0.38) ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL3839776 0.67 ALDH1A1 (0.35) ALDH1A1MEN1APAF1NPC1PLA2G1B
SCHEMBL2928777 0.66 DPP4 (0.37) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL13746321 0.65 MEN1 (0.38) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL2925965 0.64 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL6572859 0.63 ALDH1A1 (0.49) ALDH1A1MEN1APAF1NPC1PLA2G1B
SCHEMBL28292667 0.62 SMN1; SMN2 (0.56) MEN1APAF1NPC1PLA2G1BHSP90AA1

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 1 patent. 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 disclosed