SCHEMBL13634263

SCHEMBL13634263

COC(=O)c1cc(CN2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.51
HRH3 Q9Y5N1 2/20 0.50
ALDH1A1 P00352 9/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MAPT P10636 3/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL378383 0.88 SIRT6 (0.65) SIRT6ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13634150 0.88 SIRT6 (0.55) SIRT6ALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL378382 0.87 SIRT6 (0.64) SIRT6ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL495726 0.87 SIRT6 (0.54) SIRT6ALDH1A1LMNAMAPTMAPK1
SCHEMBL2771503 0.85 SMN1; SMN2 (0.53) SIRT6ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL13161884 0.85 KDM4E (0.52) SIRT6ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13163915 0.84 ALDH1A1 (0.61) SIRT6ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13634261 0.84 SIRT6 (0.51) SIRT6ALDH1A1LMNAMAPTMAPK1
SCHEMBL15888503 0.83 SIRT6 (0.50) SIRT6ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13161883 0.81 ALDH1A1 (0.50) SIRT6ALDH1A1LMNASMN1; SMN2MAPT

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
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed