SCHEMBL8211642

SCHEMBL8211642

COc1ccc(S(=O)(=O)N2CC(=S)C[C@@H]2C=S)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
PKLR P30613 1/20 0.47
RAB9A P51151 1/20 0.47
HSD11B1 P28845 1/20 0.46
MMP1 P03956 6/20 0.46
MMP3 P08254 6/20 0.46
MMP7 P09237 4/20 0.46
MMP13 P45452 2/20 0.46
LMNA P02545 5/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP9 P14780 2/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL8199769 0.84 MMP3 (0.50) MMP2MMP1MMP3MMP7MMP13
SCHEMBL8206196 0.78 MMP8 (0.62) MMP2MMP1MMP3MMP7MMP13
SCHEMBL8211439 0.77 LMNA (0.55) NPC1PKMPKLRRAB9AMMP1
SCHEMBL8206472 0.77 LMNA (0.55) NPC1PKMPKLRRAB9AMMP1
SCHEMBL8206912 0.76 MMP1 (0.58) MMP2NPC1PKMPKLRRAB9A
SCHEMBL8207818 0.68 PKM (0.66) MMP2NPC1PKMPKLRRAB9A
SCHEMBL1795644 0.67 ALDH1A1 (0.71) NPC1PKMPKLRRAB9AHSD11B1
SCHEMBL20198697 0.67 TAS2R14 (0.61) MMP1MMP3MMP13LMNATSHR
SCHEMBL8207819 0.67 MMP1 (0.59) MMP2NPC1PKMPKLRRAB9A
SCHEMBL8207637 0.67 SMN1; SMN2 (0.59) NPC1PKMPKLRRAB9ALMNA

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-6121272-A Bidentate metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2000-09-19 US disclosed