SCHEMBL9942771

SCHEMBL9942771

C[n+]1ccn(CC[AsH]CCNc2ncc(N)cc2N)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
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
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 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

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
SCHEMBL1990955 0.89 MEN1 (0.35) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL1979291 0.87 MEN1 (0.40) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL9935932 0.85 MEN1 (0.33) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL9936903 0.83 MEN1 (0.36) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL1987433 0.71
SCHEMBL1983039 0.70 MEN1 (0.30) MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL9940493 0.69
Hydrochloric Acid SCHEMBL1989198 0.68
SCHEMBL15545409 0.67 SMN1; SMN2 (0.37) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL15127630 0.67 ALDH1A1 (0.42) MEN1MAPTHTTKMT2ASMN1; SMN2

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
WO-2012080286-A9 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2013-01-31 WO claimed
WO-2012080286-A2 DYEING COMPOSITION COMPRISING A HETEROCYCLIC OXIDATION BASE AND A CATIONIC 3,5-DIAMINOPYRIDINE COUPLER L'OREAL (FR) 2012-06-21 WO claimed