SCHEMBL7060004

SCHEMBL7060004

COc1cc(OC)c(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.42
ALDH1A1 P00352 9/20 0.39
MAPT P10636 7/20 0.39
LMNA P02545 6/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.37
PKM P14618 1/20 0.37
PTPN1 P18031 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP24A1 Q07973 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL7065078 0.94 ERN1 (0.41) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL915932 0.83 PTGS2 (0.47) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7066436 0.82 CA2 (0.46) ALDH1A1MAPTMEN1KMT2APTPN1
SCHEMBL7066486 0.82 ALDH1A1 (0.44) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7065233 0.82 PTGS2 (0.50) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7064580 0.81 GFER (0.48) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7062299 0.81 GFER (0.48) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7065007 0.81 MAPT (0.43) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7059994 0.80 MAPT (0.38) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7060001 0.80 MAPT (0.38) GFERALDH1A1MAPTLMNAMEN1

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