SCHEMBL7066436

SCHEMBL7066436

COc1ccc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.46
CA1 P00915 4/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
PPARG P37231 1/20 0.40
TRIM24 O15164 1/20 0.40
TYR P14679 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
PTPN1 P18031 1/20 0.39
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP1B1 Q16678 1/20 0.37
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL7064666 0.91 KMT2A (0.38) CA2CA1CA12CA9MEN1
SCHEMBL7065078 0.85 ERN1 (0.41) MEN1KMT2APOLBPPARGPTPN1
SCHEMBL915932 0.82 PTGS2 (0.47) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL7060004 0.82 GFER (0.42) MEN1KMT2APOLBPTPN1ALDH1A1
SCHEMBL7066431 0.82 CA2 (0.46) CA2CA1CA12CA9MEN1
SCHEMBL7066433 0.82 CA2 (0.46) CA2CA1CA12CA9MEN1
SCHEMBL7065861 0.80 MAPT (0.53) CA2CA1CA12CA9MEN1
SCHEMBL914349 0.80 DHODH (0.41) CA2CA1CA12CA9MEN1
SCHEMBL7064644 0.80 MAPT (0.44) MEN1KMT2APOLBPTPN1ALDH1A1
SCHEMBL7066486 0.80 ALDH1A1 (0.44) MEN1KMT2APTPN1ALDH1A1MAPT

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 claimed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO claimed