SCHEMBL8159969

SCHEMBL8159969

NOc1cccnc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 2/20 0.51
S1PR4 O95977 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
HTT P42858 2/20 0.48
ESR2 Q92731 1/20 0.48
KDM4E B2RXH2 2/20 0.47
RECQL P46063 1/20 0.47
MCL1 Q07820 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.44

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
SCHEMBL8437 0.81 HTT (0.55) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL8789338 0.81 KMT2A (0.54) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL22583487 0.80 ALDH1A1 (0.50) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL5143899 0.79 NPC1 (0.63) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL4555887 0.79 NPC1 (0.59) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL8565240 0.79 KMT2A (0.51) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL8563924 0.77 KMT2A (0.50) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL15616449 0.77 KMT2A (0.50) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL15767908 0.77 KMT2A (0.50) KMT2AMEN1NPC1S1PR4RAB9A
SCHEMBL26481653 0.77 NPC1 (0.51) KMT2AMEN1NPC1S1PR4RAB9A

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-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed