SCHEMBL13634150

SCHEMBL13634150

COC(=O)c1cc(CN2CCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.55
ALDH1A1 P00352 6/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 1/20 0.48
MAPK1 P28482 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4E B2RXH2 4/20 0.47
PKM P14618 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL495726 0.99 SIRT6 (0.54) SIRT6ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL378383 0.90 SIRT6 (0.65) SIRT6ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL1887396 0.90 L3MBTL1 (0.52) SIRT6ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL13161883 0.90 ALDH1A1 (0.50) SIRT6ALDH1A1LMNAMAPTKMT2A
SCHEMBL2771503 0.89 SMN1; SMN2 (0.53) SIRT6ALDH1A1LMNAMAPTKMT2A
SCHEMBL13161884 0.89 KDM4E (0.52) SIRT6ALDH1A1LMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL378382 0.89 SIRT6 (0.64) SIRT6ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL590915 0.89 L3MBTL1 (0.53) SIRT6ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL13634261 0.88 SIRT6 (0.51) SIRT6ALDH1A1LMNAL3MBTL1MAPT
SCHEMBL13634263 0.88 SIRT6 (0.51) SIRT6ALDH1A1LMNAL3MBTL1MAPT

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
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed