SCHEMBL4699459

SCHEMBL4699459

COc1ccc(C=NNC(N)=Nc2ccccc2)c(Cl)c1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.46
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
RXFP3 Q9NSD7 1/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX12 P18054 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4701248 0.85 MAPT (0.43) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL4701245 0.85 MAPT (0.43) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL914992 0.84 MAPT (0.54) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL4697826 0.84 MAPT (0.54) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL4698013 0.83 MAPT (0.46) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL4697716 0.82 MAPT (0.52) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL529833 0.80 MAPT (0.55) MAPTPOLBLMNAKDM4EHPGD
SCHEMBL530029 0.80 MAPT (0.55) MAPTPOLBLMNAKDM4EHPGD
Acetic Acid SCHEMBL915011 0.78 MAPT (0.56) MAPTPOLBLMNAKDM4EHPGD
Acetic Acid SCHEMBL915013 0.78 MAPT (0.56) MAPTPOLBLMNAKDM4EHPGD

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 3 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
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed