SCHEMBL13088959

SCHEMBL13088959

COC(=O)c1cc([N+](=O)[O-])c(SC(C)C2OC(C)O2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
HPGD P15428 2/20 0.38
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTT P42858 1/20 0.34
PKM P14618 1/20 0.33
VCAM1 P19320 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
SIRT6 Q8N6T7 1/20 0.33

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
SCHEMBL12353806 0.78 PDGFRB (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12361995 0.78 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2247990 0.76 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13088958 0.76 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL1721029 0.72 PDGFRB (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL21250401 0.72 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2897709 0.71 PDGFRB (0.67) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL471041 0.70 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17080125 0.70 SLC6A4 (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12353794 0.69 PDGFRB (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3

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
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed