SCHEMBL4697716

SCHEMBL4697716

COc1ccc(C=NN=C(N)NN=Cc2ccc(OC)c(OC)c2Cl)c(Cl)c1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.48
KDM4E B2RXH2 4/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2D O15399 4/20 0.41
GRIN3B O60391 4/20 0.41
GRIN1 Q05586 4/20 0.41
GRIN2A Q12879 4/20 0.41
GRIN2B Q13224 4/20 0.41
GRIN2C Q14957 4/20 0.41
GRIN3A Q8TCU5 4/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2370342 0.87 POLB (0.50) MAPTPOLBKDM4ELMNAGRIN2D
SCHEMBL29379603 0.87 POLB (0.50) MAPTPOLBKDM4ELMNAGRIN2D
SCHEMBL914992 0.87 MAPT (0.54) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL4697826 0.87 MAPT (0.54) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL529833 0.83 MAPT (0.55) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL530029 0.83 MAPT (0.55) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL4702070 0.83 POLB (0.42) MAPTPOLBLMNAMEN1KMT2A
SCHEMBL4699459 0.82 MAPT (0.49) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL4697713 0.80 MAPT (0.51) MAPTPOLBKDM4ELMNAHPGD
SCHEMBL4697709 0.80 MAPT (0.51) MAPTPOLBKDM4ELMNAHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed