SCHEMBL8445864

SCHEMBL8445864

Cc1ccc(C#Cc2ccc(S(=O)(=O)N(CCCO)[C@@H]([C]=O)C(=O)NO)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 7/20 0.44
MMP2 P08253 7/20 0.44
MMP13 P45452 7/20 0.44
MMP8 P22894 6/20 0.44
BMP1 P13497 1/20 0.37
MMP3 P08254 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
RORC P51449 1/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL8448761 0.94 MMP9 (0.46) MMP9MMP2MMP13MMP8BMP1
SCHEMBL8445867 0.87 MMP2 (0.48) MMP9MMP2MMP13MMP8BMP1
SCHEMBL8451686 0.84 MMP9 (0.45) MMP9MMP2MMP13MMP8BMP1
SCHEMBL8446552 0.84 MMP9 (0.42) MMP9MMP2MMP13MMP8BMP1
SCHEMBL8446566 0.82 MMP2 (0.51) MMP9MMP2MMP13MMP8BMP1
SCHEMBL8446283 0.81 MMP9 (0.47) MMP9MMP2MMP13MMP8MMP3
SCHEMBL8451051 0.81 POLB (0.41) MMP9MMP2MMP13MMP8MMP3
SCHEMBL8448395 0.81 ALDH1A1 (0.43) MMP9MMP2MMP13MMP8BMP1
SCHEMBL8448762 0.80 MMP9 (0.50) MMP9MMP2MMP13MMP8BMP1
SCHEMBL8445895 0.79 MMP9 (0.47) MMP9MMP2MMP13MMP8BMP1

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