SCHEMBL13680345

SCHEMBL13680345

COC(=O)c1cc(Cl)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 5/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SIRT6 Q8N6T7 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
KDM4E B2RXH2 1/20 0.46
SLC9A1 P19634 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
RAF1 P04049 1/20 0.44
HPGD P15428 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44

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
SCHEMBL12898270 0.92 TDP1 (0.50) TDP1LMNAMEN1KMT2ASIRT6
SCHEMBL32659719 0.92 PDGFRB (0.51) TDP1LMNAMEN1KMT2ASIRT6
SCHEMBL3898466 0.92 TDP1 (0.54) TDP1LMNAMEN1KMT2ASIRT6
SCHEMBL2903296 0.90 TDP1 (0.53) TDP1LMNAMEN1KMT2ASIRT6
SCHEMBL14993469 0.89 PDGFRB (0.59) TDP1LMNAMEN1KMT2ASIRT6
SCHEMBL2798716 0.87 ALDH1A1 (0.53) TDP1LMNAMEN1KMT2ASIRT6
SCHEMBL1786813 0.87 MEN1 (0.51) TDP1LMNAMEN1KMT2ASIRT6
SCHEMBL20872770 0.86 TDP1 (0.47) TDP1LMNAMEN1KMT2ASIRT6
SCHEMBL3998487 0.86 ALDH1A1 (0.51) TDP1LMNAMEN1KMT2APDGFRB
SCHEMBL194902 0.86 TDP1 (0.50) TDP1LMNAMEN1KMT2ASIRT6

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