SCHEMBL1379938

SCHEMBL1379938

CS(=O)(=O)CCC(=O)Nc1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.51
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LTA4H P09960 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL1382785 0.93 F10 (0.49) F10GAACA12CA1CA2
SCHEMBL1379979 0.88 F10 (0.47) F10CA12CA1CA2CA9
SCHEMBL1377941 0.87 CA1 (0.48) F10CA12CA1CA2CA9
SCHEMBL6525810 0.82 MAPT (0.57) F10GAAALDH1A1SMN1; SMN2MEN1
SCHEMBL8325725 0.81 MAPT (0.55) F10KDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL5428908 0.80 F10 (0.60) F10L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL28626654 0.79 MAPT (0.56) CA12CA1CA2CA9L3MBTL1
SCHEMBL221944 0.78 F10 (0.48) F10GAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL22353066 0.75 MEN1 (0.52) F10GAAKDM4EALDH1A1MEN1
SCHEMBL1378839 0.75 F10 (0.45) F10GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4732757-B2 2011-07-27 JP claimed
JP-4699985-B2 2011-06-15 JP claimed
JP-2006512321-A 2006-04-13 JP claimed
EP-1562939-A1 CARBOXAMIDES MERCK PATENT GmbH (DE) 2005-08-17 EP claimed
WO-2004046138-A1 CARBOXAMIDES MERCK PATENT GMBH (DE) 2004-06-03 WO claimed