SCHEMBL7064644

SCHEMBL7064644

COc1c(Br)cc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 7/20 0.44
LMNA P02545 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 1/20 0.37
GFER P55789 1/20 0.35
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 2/20 0.32
PKM P14618 1/20 0.32
RBM39 Q14498 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL7066486 0.86 ALDH1A1 (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL915958 0.85 ALDH1A1 (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7064614 0.83 MAPT (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7064639 0.82 MAPT (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7064638 0.82 MAPT (0.39) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7064490 0.81 ERN1 (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7066419 0.81 ALDH1A1 (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7060993 0.81 MAPT (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7062299 0.81 GFER (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7065861 0.80 MAPT (0.53) MAPTALDH1A1MEN1KMT2AHTT

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