SCHEMBL13634220

SCHEMBL13634220

CCc1ccc(C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
KAT2B Q92831 1/20 0.47
SIRT6 Q8N6T7 1/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 4/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
VCAM1 P19320 1/20 0.43

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
SCHEMBL590781 0.89 TTR (0.47) ALDH1A1KMT2ALMNAMEN1PDGFRB
SCHEMBL2277745 0.88 PDGFRB (0.46) ALDH1A1KMT2ALMNAMEN1PDGFRB
SCHEMBL2771843 0.88 PDGFRB (0.46) ALDH1A1KMT2ALMNAMEN1PDGFRB
SCHEMBL10244098 0.88 LOXL2 (0.49) ALDH1A1KMT2ALMNAMEN1PDGFRB
SCHEMBL2770959 0.88 HPGD (0.46) ALDH1A1KMT2ALMNAMEN1PDGFRB
SCHEMBL12201377 0.88 SIRT6 (0.54) ALDH1A1KMT2ALMNAMEN1PDGFRB
SCHEMBL23507219 0.87 PPARA (0.45) ALDH1A1KMT2ALMNAMEN1PDGFRB
Hydrochloric Acid SCHEMBL5411433 0.87 LOXL2 (0.47) ALDH1A1KMT2ALMNAMEN1PDGFRB
SCHEMBL22749347 0.87 PDGFRB (0.45) ALDH1A1KMT2ALMNAMEN1PDGFRB
SCHEMBL4627799 0.87 CYP4A11 (0.49) ALDH1A1KMT2ALMNAMEN1PDGFRB

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