SCHEMBL8448733

SCHEMBL8448733

Cc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)NO)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 12/20 0.82
MMP2 P08253 11/20 0.82
NR3C1 P04150 1/20 0.62
MMP1 P03956 1/20 0.61
MMP3 P08254 1/20 0.61
MMP8 P22894 1/20 0.61
MMP14 P50281 1/20 0.61
MMP25 Q9NPA2 1/20 0.61
AIMP2 Q13155 1/20 0.61
KCNA5 P22460 3/20 0.57
ADAM17 P78536 2/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL8446521 0.90 MMP9 (1.00) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL8446559 0.90 MMP9 (1.00) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL8449351 0.89 MMP9 (0.82) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL8448255 0.89 MMP9 (0.82) MMP9MMP2NR3C1KCNA5ADAM17
SCHEMBL7378965 0.86 MMP9 (0.89) MMP9MMP2NR3C1KCNA5HDAC2
SCHEMBL7378962 0.86 MMP9 (0.89) MMP9MMP2NR3C1KCNA5HDAC2
SCHEMBL7379195 0.85 MMP9 (0.84) MMP9MMP2NR3C1KCNA5HDAC2
SCHEMBL7379197 0.85 MMP9 (0.84) MMP9MMP2NR3C1KCNA5HDAC2
SCHEMBL22500545 0.84 NR3C1 (0.70) MMP9MMP2NR3C1MMP1MMP14
SCHEMBL22501220 0.84 NR3C1 (0.70) MMP9MMP2NR3C1MMP1MMP14

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