SCHEMBL13634181

SCHEMBL13634181

COC(=O)c1cc(CN2CC[C@H](C)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 9/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.44
ACHE P22303 1/20 0.43
MAPK1 P28482 3/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL13634261 0.93 SIRT6 (0.51) SIRT6KDM4EALDH1A1RECQLLMNA
SCHEMBL13163912 0.88 SIRT6 (0.48) SIRT6KDM4EALDH1A1RECQLLMNA
SCHEMBL13163915 0.87 ALDH1A1 (0.61) SIRT6KDM4EALDH1A1LMNAPOLB
SCHEMBL15888503 0.86 SIRT6 (0.50) SIRT6KDM4EALDH1A1LMNAPOLB
SCHEMBL13162333 0.84 SIRT6 (0.47) SIRT6KDM4EALDH1A1LMNAMAPT
SCHEMBL13634150 0.84 SIRT6 (0.55) SIRT6KDM4EALDH1A1LMNAMAPT
SCHEMBL495726 0.83 SIRT6 (0.54) SIRT6KDM4EALDH1A1LMNAMAPT
SCHEMBL13162347 0.82 SIRT6 (0.50) SIRT6KDM4EALDH1A1LMNAPOLB
SCHEMBL378383 0.82 SIRT6 (0.65) SIRT6KDM4EALDH1A1LMNAMAPT
SCHEMBL13634184 0.82 ALDH1A1 (0.56) KDM4EALDH1A1LMNARAB9AMAPT

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