SCHEMBL13634261

SCHEMBL13634261

COC(=O)c1cc(CN2CCC(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.51
ACHE P22303 2/20 0.50
ALDH1A1 P00352 8/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 3/20 0.46
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR7 P34969 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
SCHEMBL13634181 0.93 SIRT6 (0.49) SIRT6ACHEALDH1A1RECQLKDM4E
SCHEMBL13163915 0.91 ALDH1A1 (0.61) SIRT6ALDH1A1KDM4EPOLBMAPT
SCHEMBL15888503 0.90 SIRT6 (0.50) SIRT6ALDH1A1KDM4EPOLBMAPT
SCHEMBL13634150 0.88 SIRT6 (0.55) SIRT6ALDH1A1KDM4EMAPTLMNA
SCHEMBL495726 0.87 SIRT6 (0.54) SIRT6ALDH1A1KDM4EMAPTLMNA
SCHEMBL378383 0.86 SIRT6 (0.65) SIRT6ALDH1A1KDM4EMAPTLMNA
SCHEMBL13163912 0.86 SIRT6 (0.48) SIRT6ALDH1A1RECQLKDM4EPOLB
SCHEMBL2771503 0.85 SMN1; SMN2 (0.53) SIRT6ALDH1A1MAPTLMNAMAPK1
SCHEMBL13161884 0.85 KDM4E (0.52) SIRT6ALDH1A1KDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL378382 0.85 SIRT6 (0.64) SIRT6ALDH1A1KDM4EMAPTLMNA

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