SCHEMBL13634152

SCHEMBL13634152

CCCN(C)Cc1ccc([N+](=O)[O-])c(C(=O)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.51
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 4/20 0.40
HCAR3 P49019 2/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
PTBP1 P26599 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL13270545 0.89 SIRT6 (0.50) SIRT6TDP1NPSR1ALDH1A1HTT
SCHEMBL8301315 0.86 SIRT6 (0.53) SIRT6TDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL13270311 0.84 ALDH1A1 (0.47) SIRT6TDP1NPSR1ALDH1A1HTT
SCHEMBL13162823 0.84 SIRT6 (0.51) SIRT6TDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL15888531 0.83 ALDH1A1 (0.47) SIRT6TDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL12201377 0.83 SIRT6 (0.54) SIRT6TDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL297962 0.81 SIRT6 (0.49) SIRT6TDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL30361221 0.80 SIRT6 (0.52) SIRT6TDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL147719 0.80 SIRT6 (0.52) SIRT6TDP1ALDH1A1HTTSMN1; SMN2
SCHEMBL6693120 0.79 SIRT6 (0.53) SIRT6TDP1ALDH1A1SMN1; SMN2LMNA

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