SCHEMBL4773166

SCHEMBL4773166

NC(=O)NS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.59
CA2 P00918 7/20 0.59
MMP2 P08253 2/20 0.59
MMP1 P03956 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
F2 P00734 3/20 0.58
PRSS1 P07477 3/20 0.58
PRSS2 P07478 3/20 0.58
PRSS3 P35030 3/20 0.58
MMP14 P50281 1/20 0.51
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
DHFR P00374 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ITGA1 P56199 2/20 0.45
ALDH1A1 P00352 1/20 0.43

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
Sulfacarbamide SCHEMBL154846 0.82 TSHR (0.69) CA1CA2MMP2MMP1MMP9
SCHEMBL25392727 0.82 CA1 (0.61) CA1CA2MMP2MMP1MMP9
SCHEMBL12187037 0.80 CA1 (0.66) CA1CA2MMP2MMP1MMP9
SCHEMBL7264925 0.80 FLT1 (0.65) CA1CA2MMP2MMP1MMP9
SCHEMBL29238320 0.80 SMN1; SMN2 (0.67) CA1CA2MMP2MMP1MMP9
SCHEMBL170426 0.80 CA1 (0.59) CA1CA2MMP2MMP1MMP9
SCHEMBL1382333 0.80 CA1 (0.59) CA1CA2MMP2MMP1MMP9
SCHEMBL4638239 0.80 CA2 (0.59) CA1CA2MMP2F2PRSS1
SCHEMBL370189 0.79 CA2 (0.56) CA1CA2MMP2MMP1MMP9
SCHEMBL5605338 0.78 CA2 (0.54) CA1CA2MMP2MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541748-A Methods for treating hepatitis C PTC THERAPEUTICS INC (US) 2009-09-23 CN disclosed
EP-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed