SCHEMBL12635599

SCHEMBL12635599

O=[N+]([O-])/C=C/c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.79
TLR4 O00206 4/20 0.73
TLR2 O60603 4/20 0.73
HSPB1 P04792 1/20 0.56
EGFR P00533 1/20 0.53
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
KMT2A Q03164 1/20 0.49
VCP P55072 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL102629 0.89 FBP1 (1.00) FBP1TLR4TLR2EGFRKMT2A
SCHEMBL102630 0.89 FBP1 (1.00) FBP1TLR4TLR2EGFRKMT2A
SCHEMBL510018 0.84 TLR4 (1.00) FBP1TLR4TLR2EGFRMAOA
SCHEMBL510019 0.84 TLR4 (1.00) FBP1TLR4TLR2EGFRMAOA
SCHEMBL4905578 0.82 FBP1 (0.81) FBP1TLR4TLR2EGFRMAOA
SCHEMBL4905572 0.82 FBP1 (0.81) FBP1TLR4TLR2EGFRMAOA
SCHEMBL21483129 0.81 TLR4 (0.65) FBP1TLR4TLR2EGFRMAOA
SCHEMBL18533681 0.80 FBP1 (0.68) FBP1TLR4TLR2EGFRKMT2A
SCHEMBL10031850 0.79 NFE2L2 (0.68)
SCHEMBL6910818 0.79 FBP1 (0.78) FBP1TLR4TLR2EGFRKMT2A

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
WO-2011078370-A1 NOVEL PARABANIC ACID DERIVATIVE AND DRUG HAVING THE SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2011-06-30 WO disclosed