SCHEMBL1684157

SCHEMBL1684157

O=C(NCOCO)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.48
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL1684117 0.89 PPARG (0.52) PPARGMEN1KMT2AMAOBHDAC3
SCHEMBL1684191 0.85 PPARG (0.52) PPARGMAOBHDAC3HDAC4HDAC1
SCHEMBL1684119 0.83 PPARG (0.51) PPARGMAOBEPHX2
SCHEMBL2950674 0.82 PPARG (0.51) PPARGMAOB
SCHEMBL2945336 0.81 PPARG (0.52) PPARGMAOB
SCHEMBL1684245 0.79 PPARG (0.55) PPARGMAOBEPHX2
SCHEMBL2945150 0.78 PPARG (0.47) PPARG
SCHEMBL1684268 0.78 PPARG (0.48) PPARGMAOB
SCHEMBL2948358 0.71 HDAC6 (0.60) MAOBHDAC3HDAC4HDAC1HDAC7
SCHEMBL6220698 0.69 PPARG (0.39) PPARGMEN1KMT2AHDAC4HDAC1

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
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO disclosed