SCHEMBL4565090

SCHEMBL4565090

N#Cc1ccc(CN(C(=O)c2ccncc2)c2nc(I)c(C(O)(C(F)(F)F)C(F)(F)F)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 11/20 0.69
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
NSD2 O96028 2/20 0.38
TP53 P04637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPKAPK2 P49137 1/20 0.35
MAPK14 Q16539 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6538355 0.82 MLYCD (1.00) MLYCD
SCHEMBL647994 0.70 MLYCD (1.00) MLYCD
SCHEMBL1897781 0.69 MLYCD (0.86) MLYCD
SCHEMBL1896871 0.66 MLYCD (0.81) MLYCD
SCHEMBL1899914 0.66 MLYCD (0.80) MLYCD
SCHEMBL10044255 0.65 MLYCD (0.80) MLYCD
SCHEMBL1900991 0.65 MLYCD (1.00) MLYCD
SCHEMBL4496977 0.64 MLYCD (0.72) MLYCD
SCHEMBL7236313 0.63 NSD2 (0.71) MLYCDMEN1NPC1KMT2ANSD2
SCHEMBL1899912 0.62 MLYCD (0.72) MLYCD

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
US-7524969-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-28 US claimed