SCHEMBL2739974

SCHEMBL2739974

COC(=O)c1cnc(C)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
PKM P14618 2/20 0.47
MAPT P10636 3/20 0.44
POLB P06746 3/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIRT6 Q8N6T7 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
VCAM1 P19320 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
SCHEMBL17541076 0.88 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1561505 0.83 POLB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL26115003 0.78 KDM4E (0.45) MAPTMAPK1ALDH1A1KMT2A
SCHEMBL16692791 0.77 POLB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL25231350 0.77 KDM4E (0.47) FGFR1MAPTPOLBALDH1A1HTT
SCHEMBL12604704 0.77 PDGFRB (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL19172745 0.77 ALDH1A1 (0.46) PDGFRBPDGFRAPKMMAPTMAPK1
SCHEMBL31149461 0.77 KDM4E (0.47) FGFR1MAPTPOLBALDH1A1HTT
SCHEMBL25652163 0.76 NNMT (0.46) MAPTMAPK1L3MBTL1ALDH1A1MEN1
SCHEMBL2897709 0.76 PDGFRB (0.67) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1986645-B1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC (US) 2012-01-04 EP disclosed
WO-2007089512-A1 GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2007-08-09 WO disclosed