SCHEMBL8445895

SCHEMBL8445895

Cc1ccc(C#Cc2ccc(S(=O)(=O)N(CCCO)[C@H](C)C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 3/20 0.47
BMP1 P13497 2/20 0.43
MMP2 P08253 3/20 0.42
MMP13 P45452 3/20 0.42
MMP3 P08254 2/20 0.42
KEAP1 Q14145 3/20 0.42
NFE2L2 Q16236 2/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MMP8 P22894 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8446648 0.89 MMP9 (0.46) MMP9BMP1MMP2MMP13MMP3
SCHEMBL8445867 0.87 MMP2 (0.48) MMP9BMP1MMP2MMP13MMP8
SCHEMBL8448553 0.84 KEAP1 (0.50) MMP9BMP1MMP2MMP13MMP3
SCHEMBL8448544 0.82 BMP1 (0.48) MMP9BMP1MMP2MMP13MMP3
SCHEMBL8450042 0.82 MMP9 (0.44) MMP9BMP1MMP2MMP13MMP3
SCHEMBL8445701 0.81 KEAP1 (0.53) MMP9BMP1MMP2MMP13KEAP1
SCHEMBL8448762 0.80 MMP9 (0.50) MMP9BMP1MMP2MMP13MMP8
SCHEMBL8448983 0.79 POLB (0.45) MMP9BMP1MMP2MMP13MMP3
SCHEMBL8445864 0.79 MMP9 (0.44) MMP9BMP1MMP2MMP13MMP3
SCHEMBL8448691 0.79 MMP2 (0.47) MMP9BMP1MMP2MMP13MMP3

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-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP claimed
EP-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP disclosed