SCHEMBL20525564

SCHEMBL20525564

COc1ccc2c(Oc3ccc(N4CC(Cc5ccccc5)N(S(=O)(=O)c5ccc(C)cc5)C4=O)cc3)ccnc2c1OC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
FOLH1 Q04609 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CTSG P08311 3/20 0.33
CMA1 P23946 3/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
GHSR Q92847 1/20 0.32
UGCG Q16739 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
SCHEMBL20525652 0.90 MET (0.37) METMEN1KMT2A
SCHEMBL377067 0.87 MET (0.48) MET
SCHEMBL371933 0.79 MET (0.48) MET
SCHEMBL20525842 0.78 MET (0.37) METMEN1KMT2AALDH1A1POLB
SCHEMBL20525735 0.76 MET (0.39) METMEN1KMT2A
SCHEMBL20525642 0.74 ACHE (0.42) MEN1KMT2AALDH1A1POLB
SCHEMBL20525605 0.71 DRD2 (0.43) METMEN1KMT2ALMNAALDH1A1
SCHEMBL12164799 0.71 MET (0.45) MET
SCHEMBL17370940 0.70 MET (0.48) MET
SCHEMBL20525754 0.68 ALK (0.46) MEN1KMT2ALMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed