SCHEMBL6806353

SCHEMBL6806353

Nc1cccc(C=C[N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 11/20 0.75
VCP P55072 1/20 0.64
TLR4 O00206 4/20 0.57
TLR2 O60603 4/20 0.57
CYP19A1 P11511 2/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
ABL2 P42684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TERT O14746 1/20 0.51

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
SCHEMBL5211010 0.79 FBP1 (0.85) FBP1VCPTLR4TLR2MAOA
SCHEMBL13622505 0.79 NFE2L2 (0.72) FBP1VCPCYP19A1MAOAMAOB
SCHEMBL527534 0.78 FBP1 (1.00) FBP1VCPTLR4TLR2MAOA
SCHEMBL1937312 0.78 FBP1 (1.00) FBP1VCPTLR4TLR2MAOA
SCHEMBL8625808 0.78 FBP1 (1.00) FBP1VCPTLR4TLR2CYP19A1
SCHEMBL1027330 0.78 FBP1 (1.00) FBP1VCPTLR4TLR2MAOA
SCHEMBL527535 0.78 FBP1 (1.00) FBP1VCPTLR4TLR2MAOA
SCHEMBL2073418 0.78 FBP1 (1.00) FBP1VCPTLR4TLR2MAOA
SCHEMBL8625803 0.78 FBP1 (1.00) FBP1VCPTLR4TLR2CYP19A1
SCHEMBL12720865 0.78 FBP1 (1.00) FBP1VCPTLR4TLR2MAOA

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
WO-2004046081-A1 BETA-NITROSTYRENE COMPOUND AND TELOMERASE INHIBITOR HAVING AN ANTICANCER ACTIVITY DNA LINK, INC. (KR) 2004-06-03 WO claimed
WO-2004046081-A1 BETA-NITROSTYRENE COMPOUND AND TELOMERASE INHIBITOR HAVING AN ANTICANCER ACTIVITY DNA LINK, INC. (KR) 2004-06-03 WO disclosed