SCHEMBL13634232

SCHEMBL13634232

CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)OC)c2)CCO1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.61
MAPT P10636 13/20 0.52
ALDH1A1 P00352 10/20 0.47
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL13634374 0.84 ALDH1A1 (0.43) SIRT6MAPTALDH1A1HTTHPGD
SCHEMBL5624466 0.82 SIRT6 (0.76) SIRT6MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL13634403 0.82 DRD4 (0.47) SIRT6MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL20509684 0.78 SIRT6 (0.81) SIRT6MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL44878 0.77 SIRT6 (0.79) SIRT6MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL21682911 0.77 SIRT6 (0.74) SIRT6MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL20509923 0.77 SIRT6 (0.64) SIRT6MAPTALDH1A1LMNAMEN1
SCHEMBL15888639 0.76 SIRT6 (0.60) SIRT6MAPTALDH1A1CYP1A2CYP2C19
SCHEMBL22652232 0.76 SIRT6 (1.00) SIRT6MAPTALDH1A1MAPK1
SCHEMBL31438048 0.76 MEN1 (0.50) SIRT6MAPTALDH1A1MAPK1LMNA

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