SCHEMBL7064580

SCHEMBL7064580

COc1ccc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.48
ALDH1A1 P00352 13/20 0.44
LMNA P02545 7/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 11/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX12 P18054 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL7065233 0.89 PTGS2 (0.50) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7062299 0.88 GFER (0.48) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7064635 0.87 GFER (0.38) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7062964 0.85 GFER (0.38) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7064573 0.82 GFER (0.43) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7064577 0.82 GFER (0.43) GFERALDH1A1LMNAHTTMAPT
SCHEMBL915932 0.82 PTGS2 (0.47) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7060004 0.81 GFER (0.42) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7065198 0.81 ATM (0.45) GFERALDH1A1LMNAHTTMAPT
SCHEMBL7066419 0.80 ALDH1A1 (0.40) 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 claimed
WO-2002011715-A2 THE USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MELACURE THERAPEUTICS AB (SE) 2002-02-14 WO claimed