SCHEMBL7066419

SCHEMBL7066419

COc1cc(C=NN(OS(=O)(=O)c2ccc(C)cc2)C(=N)N)c(Cl)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
MAPT P10636 7/20 0.40
LMNA P02545 5/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GFER P55789 1/20 0.38
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
PKM P14618 1/20 0.34
PTPN1 P18031 1/20 0.34
PTGS2 P35354 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL915958 0.89 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7066415 0.83 MAPT (0.36) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7066412 0.83 MAPT (0.36) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL5571227 0.83 MAPT (0.42) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7060993 0.82 MAPT (0.42) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7064644 0.81 MAPT (0.44) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7066486 0.81 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7064580 0.80 GFER (0.48) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7060004 0.80 GFER (0.42) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7064608 0.79 MAPT (0.44) ALDH1A1MAPTLMNAHTTMEN1

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