SCHEMBL8625071

SCHEMBL8625071

CC(=Cc1cccc(Oc2ccccc2)c1)[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.66
TLR4 O00206 3/20 0.58
TLR2 O60603 3/20 0.58
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
ABL2 P42684 1/20 0.51
ATM Q13315 1/20 0.49
ALOX5 P09917 3/20 0.48
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
ALOX5AP P20292 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
JAK2 O60674 1/20 0.44
MITF O75030 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL8625069 1.00 FBP1 (0.66) FBP1TLR4TLR2ABL1EGFR
SCHEMBL9181907 0.90 FBP1 (0.53) FBP1TLR4TLR2ABL1EGFR
SCHEMBL9181908 0.90 FBP1 (0.53) FBP1TLR4TLR2ABL1EGFR
SCHEMBL7104674 0.85 FBP1 (0.60) FBP1ABL1EGFRABL2LMNA
SCHEMBL7104672 0.85 FBP1 (0.60) FBP1ABL1EGFRABL2LMNA
SCHEMBL2748715 0.82 MAOB (0.63) FBP1TLR4TLR2ALDH1A1MEN1
SCHEMBL2748717 0.82 MAOB (0.63) FBP1TLR4TLR2ALDH1A1MEN1
SCHEMBL2748716 0.82 MAOB (0.63) FBP1TLR4TLR2ALDH1A1MEN1
SCHEMBL1749791 0.81 FBP1 (1.00) FBP1ABL1EGFRABL2LMNA
SCHEMBL1032131 0.81 FBP1 (1.00) FBP1ABL1EGFRABL2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672646-B1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL CO (JP) 1998-06-10 EP disclosed
US-5639895-A Process for producing β-nitroenamine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
US-5597940-A REACTING NITROOLEFIN WITH HYDROXYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-28 US disclosed
EP-0672646-A1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-09-20 EP disclosed