SCHEMBL7870896

SCHEMBL7870896

Cc1ccc(C#Cc2ccc(S(=O)(=O)CC(C)C(=O)NO)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.53
MMP9 P14780 3/20 0.53
ADAM17 P78536 1/20 0.50
MMP13 P45452 7/20 0.46
ACACB O00763 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
MMP3 P08254 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 1/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 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
SCHEMBL7862162 0.85 MMP9 (0.56) MMP2MMP9MMP13ACACBCA12
SCHEMBL7868836 0.83 MMP2 (0.47) MMP2MMP9ADAM17MMP13MMP3
SCHEMBL7870820 0.80 MMP2 (0.45) MMP2MMP9ADAM17MMP13MMP3
SCHEMBL6378624 0.78 MMP13 (0.53) MMP2MMP9MMP13CA1CA2
SCHEMBL7867073 0.78 ALDH1A1 (0.44) MMP2MMP9MMP13ACACBCA12
SCHEMBL8446571 0.77 MMP9 (0.64) MMP2MMP9ADAM17MMP13CA12
SCHEMBL8446612 0.77 MMP9 (0.64) MMP2MMP9ADAM17MMP13CA12
SCHEMBL7867129 0.76 MMP9 (0.52) MMP2MMP9MMP13ACACBCA12
SCHEMBL7868862 0.76 MMP9 (0.52) MMP2MMP9MMP13ACACBCA12
SCHEMBL8446284 0.75 MMP9 (0.59) MMP2MMP9ADAM17MMP13ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed