SCHEMBL7062299

SCHEMBL7062299

COc1ccc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.48
ALDH1A1 P00352 12/20 0.48
MAPT P10636 8/20 0.48
LMNA P02545 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PTGS2 P35354 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
PTGS1 P23219 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

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) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7064580 0.88 GFER (0.48) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7065660 0.87 ALDH1A1 (0.39) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7066486 0.87 ALDH1A1 (0.44) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7062979 0.85 GFER (0.38) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7062296 0.82 GFER (0.43) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7062294 0.82 GFER (0.43) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL915932 0.82 PTGS2 (0.47) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7060004 0.81 GFER (0.42) GFERALDH1A1MAPTLMNAMEN1
SCHEMBL7064644 0.81 MAPT (0.44) 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