SCHEMBL13680344

SCHEMBL13680344

CNc1cc(C(=O)OC)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.49
HTT P42858 2/20 0.47
SIRT6 Q8N6T7 1/20 0.46
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
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
CDC25B P30305 1/20 0.45
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.42
VCAM1 P19320 1/20 0.41
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL12898267 0.92 SIRT6 (0.43) HCAR3HTTSIRT6PDGFRBFGFR1
SCHEMBL26628821 0.90 PDGFRB (0.49) HCAR3HTTSIRT6PDGFRBFGFR1
SCHEMBL12190640 0.88 PDGFRB (0.57) HCAR3HTTPDGFRBFGFR1PDGFRA
SCHEMBL15323319 0.87 PDGFRB (0.49) HCAR3HTTSIRT6PDGFRBFGFR1
SCHEMBL24500495 0.86 HCAR3 (0.46) HCAR3HTTSIRT6PDGFRBFGFR1
SCHEMBL12768213 0.86 SIRT6 (0.43) HCAR3HTTSIRT6PDGFRBFGFR1
SCHEMBL12190698 0.86 CHEK1 (0.47) HCAR3HTTPDGFRBFGFR1PDGFRA
SCHEMBL29695047 0.86 HCAR3 (0.46) HCAR3HTTSIRT6PDGFRBFGFR1
SCHEMBL2696693 0.84 PDGFRB (0.47) HCAR3HTTSIRT6PDGFRBFGFR1
SCHEMBL29850630 0.84 PDGFRB (0.60) HCAR3HTTSIRT6PDGFRBFGFR1

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-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed