SCHEMBL7651887

SCHEMBL7651887

COC(=O)Cc1ccc([N+](=O)[O-])c(C(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.58
FGFR1 P11362 1/20 0.58
PDGFRA P16234 1/20 0.58
FLT1 P17948 1/20 0.58
FGFR3 P22607 1/20 0.58
KDR P35968 1/20 0.58
SIRT6 Q8N6T7 1/20 0.51
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
GFER P55789 1/20 0.46
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL7655467 0.89 SIRT6 (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12201377 0.87 SIRT6 (0.54) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6693120 0.85 SIRT6 (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL3726231 0.85 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30434912 0.84 SIRT6 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30361202 0.84 SIRT6 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL148602 0.84 SIRT6 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30361199 0.84 SIRT6 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL30361221 0.84 SIRT6 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL147719 0.84 SIRT6 (0.52) 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
US-6407116-B1 2,4-DIOXO-1,2,3,4-TETRAHYDROQUINAZOLINE DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES, AND ANTIINFLAMMATORY AGENTS TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1026160-A1 NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS Takeda Chemical Industries, Ltd. (JP) 2000-08-09 EP disclosed