SCHEMBL5231673

SCHEMBL5231673

Cc1cccc(/C(Cc2ccnc3cc(Cl)ccc23)=N\N2CCCC2=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TGFBR1 P36897 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDE P14735 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK1 P49759 1/20 0.36
CHKA P35790 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL5231678 1.00 THRB (0.43) THRBTGFBR1MAPK14MAPTKDM4E
SCHEMBL5235089 0.91 TGFBR1 (0.35) THRBTGFBR1MAPK14MAPT
SCHEMBL5235086 0.91 TGFBR1 (0.35) THRBTGFBR1MAPK14MAPT
SCHEMBL4486620 0.89 TGFBR1 (0.38) THRBTGFBR1MAPK14APP
SCHEMBL4486616 0.89 TGFBR1 (0.38) THRBTGFBR1MAPK14APP
SCHEMBL8336424 0.89 TGFBR1 (0.38) THRBTGFBR1MAPK14APP
SCHEMBL5234868 0.88 TGFBR1 (0.39) THRBTGFBR1MAPK14KDM4EALDH1A1
SCHEMBL5234860 0.88 TGFBR1 (0.39) THRBTGFBR1MAPK14KDM4EALDH1A1
SCHEMBL5234939 0.88 TGFBR1 (0.39) THRBTGFBR1MAPK14ALDH1A1TSHR
SCHEMBL5234933 0.88 TGFBR1 (0.39) THRBTGFBR1MAPK14ALDH1A1TSHR

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-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed