SCHEMBL4553974

SCHEMBL4553974

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1/C=C/C(=O)NS(=O)(=O)NCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
NR2F2 P24468 1/20 0.38
HTT P42858 1/20 0.38
KMO O15229 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PHGDH O43175 8/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
OXER1 Q8TDS5 1/20 0.32
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL965506 0.91 MAPT (0.39) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL965508 0.91 MAPT (0.39) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL962725 0.90 MAPT (0.35) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL962726 0.90 MAPT (0.35) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL4554061 0.90 MAPT (0.38) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL5116549 0.90 MAPT (0.38) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL965585 0.88 MAPT (0.36) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL965582 0.88 MAPT (0.36) SMN1; SMN2MAPTNR2F2HTTL3MBTL1
SCHEMBL965347 0.88 NPY5R (0.41) SMN1; SMN2MAPTNR2F2HTTMEN1
SCHEMBL964832 0.88 MAPT (0.36) SMN1; SMN2MAPTNR2F2HTTPHGDH

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