SCHEMBL8446570

SCHEMBL8446570

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CA1 P00915 2/20 0.48
MMP9 P14780 3/20 0.42
MMP2 P08253 3/20 0.39
MMP3 P08254 2/20 0.38
MMP13 P45452 2/20 0.38
ALDH1A1 P00352 1/20 0.37
AGER Q15109 1/20 0.37
ATM Q13315 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
HCRTR2 O43614 1/20 0.36
MAPT P10636 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL8446610 1.00 CA12 (0.48) CA12CA2CA9CA1MMP9
SCHEMBL8446520 0.88 CA12 (0.33) CA12CA2CA9CA1MMP9
SCHEMBL8445774 0.86 ATM (0.42) ALDH1A1AGERATMKEAP1NFE2L2
SCHEMBL8450007 0.83 CA12 (0.36) CA12CA2CA9CA1MMP9
SCHEMBL8445800 0.83 CA12 (0.36) CA12CA2CA9CA1MMP9
SCHEMBL8446537 0.82 CA12 (0.44) CA12CA2CA9CA1
SCHEMBL8448587 0.80 FFAR1 (0.43) CA12CA2CA9CA1MMP2
SCHEMBL8448260 0.79 FFAR1 (0.45) CA12CA2CA9CA1MMP2
SCHEMBL8446283 0.74 MMP9 (0.47) CA12CA2CA9CA1MMP9
SCHEMBL4916977 0.71 ALDH1A1 (0.41) CA12CA2CA9CA1ALDH1A1

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