SCHEMBL6848814

SCHEMBL6848814

NC(=O)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.76
MMP12 P39900 2/20 0.76
GAA P10253 1/20 0.76
MMP2 P08253 10/20 0.69
MMP9 P14780 8/20 0.69
MMP7 P09237 4/20 0.69
MMP14 P50281 4/20 0.69
MMP3 P08254 3/20 0.69
MMP13 P45452 3/20 0.69
MEP1B Q16820 3/20 0.69
ADAM17 P78536 2/20 0.69
MMP8 P22894 1/20 0.69
KAT6A Q92794 2/20 0.61
PRMT1 Q99873 1/20 0.51
IKBKB O14920 1/20 0.50
ADAMTS4 O75173 1/20 0.50

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
SCHEMBL2969958 0.90 MMP1 (0.59) MMP1MMP12GAAMMP2MMP9
SCHEMBL10890150 0.86 MMP1 (1.00) MMP1MMP12GAAMMP2MMP9
SCHEMBL6271017 0.86 MMP1 (0.80) MMP1MMP12GAAMMP2MMP9
SCHEMBL3142362 0.81 HDAC1 (0.70) MMP1MMP12GAAMMP2MMP9
SCHEMBL13723973 0.81 CA1 (0.65) MMP1MMP2MMP9MMP13MMP8
SCHEMBL21067576 0.81 MMP1 (0.71) MMP1MMP12GAAMMP2MMP9
SCHEMBL6850069 0.79 MEP1B (0.62) MMP1GAAMMP2MMP9MMP14
SCHEMBL20743688 0.79 MMP1 (0.66) MMP1MMP12GAAMMP2MMP9
SCHEMBL4859251 0.79 ALDH1A1 (0.61) MMP1MMP2MMP9MMP13MMP8
SCHEMBL6850445 0.79 MEP1B (0.62) MMP1MMP2MMP9MMP13MEP1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed