SCHEMBL8079569

SCHEMBL8079569

COC(=O)c1cc([N+](=O)[O-])c(F)c(Br)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.50
FGFR1 P11362 1/20 0.50
PDGFRA P16234 1/20 0.50
FLT1 P17948 1/20 0.50
FGFR3 P22607 1/20 0.50
KDR P35968 1/20 0.50
SIRT6 Q8N6T7 1/20 0.41
SOS1 Q07889 1/20 0.40
VCAM1 P19320 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GALR2 O43603 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18666952 0.88 PDGFRB (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2522809 0.86 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL16935287 0.85 PDGFRB (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL26962045 0.84 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31520429 0.83 PDGFRB (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL21808140 0.83 PDGFRB (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL23590866 0.82 PDGFRB (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL670584 0.82 PDGFRB (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL913705 0.81 PDGFRB (0.46) PDGFRBFGFR1PDGFRAFLT1FGFR3
Hydrochloric Acid SCHEMBL7539373 0.81 PDGFRB (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000016971-A 3-BROMOBENZOIC ACID DERIVATIVE AND ITS PRODUCTION TOHKEM PRODUCTS:KK 2000-01-18 JP disclosed