SCHEMBL8173577

SCHEMBL8173577

COC(=O)c1cc2c(cc1[N+](=O)[O-])sc1cc([N+](=O)[O-])c(C(=O)OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
VCAM1 P19320 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.39
COMT P21964 1/20 0.39
USP10 Q14694 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL8173579 0.94 SIRT6 (0.41) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8163021 0.92 TDP1 (0.46) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8163022 0.88 TDP1 (0.43) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL8169197 0.80 DTYMK (0.47) TDP1ALDH1A1LMNA
SCHEMBL25232489 0.77 MAPT (0.52) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL30457588 0.77 MAPT (0.52) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL12604704 0.77 PDGFRB (0.56) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL2897709 0.76 PDGFRB (0.67) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL4097915 0.76 PDGFRB (0.55) SIRT6PDGFRBFGFR1PDGFRAFLT1
SCHEMBL3898466 0.76 TDP1 (0.54) SIRT6PDGFRBFGFR1PDGFRAFLT1

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-6022307-A ANGIOGENESIS INHIBITOR AMERICAN CYANAMID COMPANY (US) 2000-02-08 US disclosed