SCHEMBL7065233

SCHEMBL7065233

COc1ccc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
PTGS1 P23219 2/20 0.50
GFER P55789 1/20 0.49
ALDH1A1 P00352 8/20 0.45
LMNA P02545 5/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 7/20 0.44
CYP1A2 P05177 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL7064580 0.89 GFER (0.48) PTGS2GFERALDH1A1LMNAHTT
SCHEMBL7062299 0.89 GFER (0.48) PTGS2PTGS1GFERALDH1A1LMNA
SCHEMBL7065198 0.84 ATM (0.45) PTGS2PTGS1GFERALDH1A1LMNA
SCHEMBL7065078 0.83 ERN1 (0.41) PTGS2GFERALDH1A1LMNAHTT
SCHEMBL915932 0.82 PTGS2 (0.47) PTGS2GFERALDH1A1LMNAHTT
SCHEMBL7060004 0.82 GFER (0.42) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7065228 0.82 PTGS2 (0.50) PTGS2PTGS1GFERALDH1A1LMNA
SCHEMBL7065223 0.82 PTGS2 (0.50) PTGS2PTGS1GFERALDH1A1LMNA
SCHEMBL7065388 0.80 ATM (0.38) PTGS2PTGS1GFERALDH1A1LMNA
SCHEMBL7064635 0.80 GFER (0.38) GFERALDH1A1LMNAHTTMAPT

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
EP-1313461-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS Melacure Therapeutics AB (SE) 2003-05-28 EP disclosed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO disclosed