SCHEMBL7066486

SCHEMBL7066486

COc1cc(OC)c(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
MAPT P10636 9/20 0.44
LMNA P02545 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTPN1 P18031 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GFER P55789 1/20 0.40
MAPK1 P28482 1/20 0.35
HPGD P15428 3/20 0.35
PKM P14618 1/20 0.35
STAT3 P40763 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
GAA P10253 2/20 0.34

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
SCHEMBL7062299 0.87 GFER (0.48) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7064644 0.86 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL915958 0.85 ALDH1A1 (0.44) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7064490 0.85 ERN1 (0.43) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7064614 0.83 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7062491 0.82 ALDH1A1 (0.44) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL7060004 0.82 GFER (0.42) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7066482 0.82 KDM4E (0.41) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7066477 0.82 KDM4E (0.41) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL7064608 0.82 MAPT (0.44) ALDH1A1MAPTLMNASMN1; SMN2HTT

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