SCHEMBL1386644

SCHEMBL1386644

COc1ccc2ccc(S(=O)(=O)N3CCN(Cc4cc5cnccc5[nH]4)C(=O)C3)cc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 15/20 0.58
F2 P00734 2/20 0.58
KDM4E B2RXH2 2/20 0.45
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL27526711 0.82 F10 (0.73) F10F2
SCHEMBL1384565 0.76 F10 (0.71) F10F2
SCHEMBL1652823 0.75 F10 (0.67) F10F2L3MBTL1
SCHEMBL1654255 0.74 F10 (0.75) F10F2
SCHEMBL1654252 0.74 F10 (0.75) F10F2
SCHEMBL1386804 0.73 F10 (1.00) F10F2
SCHEMBL1652277 0.73 F10 (0.81) F10F2
SCHEMBL1652367 0.73 F10 (1.00) F10F2
SCHEMBL1384898 0.73 F10 (1.00) F10F2
SCHEMBL1652235 0.73 F10 (1.00) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4829449-B2 2011-12-07 JP claimed
JP-2003508353-A 2003-03-04 JP claimed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP claimed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO claimed