SCHEMBL7064490

SCHEMBL7064490

COc1cc(Br)cc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.43
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 1/20 0.39
PTPN1 P18031 1/20 0.39
GFER P55789 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ACHE P22303 1/20 0.36
CA9 Q16790 1/20 0.36
RBM39 Q14498 1/20 0.36
IGF1R P08069 1/20 0.36
PTGS2 P35354 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
SCHEMBL7064608 0.85 MAPT (0.44) ERN1MAPTALDH1A1LMNAMEN1
SCHEMBL7066486 0.85 ALDH1A1 (0.44) MAPTALDH1A1LMNAMEN1HTT
SCHEMBL7065379 0.85 MAPT (0.42) ERN1MAPTALDH1A1LMNAMEN1
SCHEMBL7065861 0.84 MAPT (0.53) MAPTALDH1A1MEN1HTTKMT2A
SCHEMBL7064483 0.83 ERN1 (0.43) ERN1MAPTALDH1A1LMNAMEN1
SCHEMBL7064489 0.83 ERN1 (0.43) ERN1MAPTALDH1A1LMNAMEN1
SCHEMBL915958 0.83 ALDH1A1 (0.44) MAPTALDH1A1LMNAMEN1HTT
SCHEMBL7064644 0.81 MAPT (0.44) MAPTALDH1A1LMNAMEN1HTT
SCHEMBL7062299 0.80 GFER (0.48) MAPTALDH1A1LMNAMEN1HTT
SCHEMBL7060004 0.80 GFER (0.42) MAPTALDH1A1LMNAMEN1HTT

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