SCHEMBL4555113

SCHEMBL4555113

Cc1nn(C)c(-n2ccc3cc(Cl)cnc32)c1/C=C/C=O.[KH]

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.32
NR2F2 P24468 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
IRAK4 Q9NWZ3 3/20 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
SCHEMBL963547 0.89 SMN1; SMN2 (0.41) MEN1LMNAPABPC1KMT2ASMN1; SMN2
SCHEMBL963160 0.85 HTT (0.32) MEN1LMNAPABPC1KMT2ASMN1; SMN2
SCHEMBL967192 0.85 L3MBTL1 (0.48) MEN1LMNAPABPC1KMT2ASMN1; SMN2
SCHEMBL967190 0.85 L3MBTL1 (0.48) MEN1LMNAPABPC1KMT2ASMN1; SMN2
SCHEMBL963163 0.85 HTT (0.32) MEN1LMNAPABPC1KMT2ASMN1; SMN2
SCHEMBL4553471 0.82 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2HTTHPGD
SCHEMBL967738 0.81 ALDH1A1 (0.41) LMNASMN1; SMN2HTTHPGDHSD17B10
SCHEMBL4554491 0.81 L3MBTL1 (0.38) SMN1; SMN2CYP2C19
SCHEMBL4554759 0.80 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2HTTHPGD
SCHEMBL967739 0.78 IRAK4 (0.35) LMNASMN1; SMN2HTTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed