SCHEMBL7386004

SCHEMBL7386004

COc1ccc(S(=O)(=O)CNC(C(N)=O)C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.49
MMP13 P45452 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MMP9 P14780 2/20 0.49
MAPT P10636 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP8 P22894 1/20 0.49
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 3/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.45
SLC1A3 P43003 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
SCHEMBL6510019 0.88 MMP9 (0.60) MMP1MMP13ALDH1A1MMP9MAPT
SCHEMBL6501997 0.85 MMP13 (0.58) MMP1MMP13ALDH1A1MMP9MAPT
SCHEMBL27451020 0.72 ALDH1A1 (0.55) MMP1MMP13ALDH1A1MMP9CYP3A4
SCHEMBL6501553 0.71 ADAMTS4 (0.57) MMP1MMP13MMP9MAPTMMP2
SCHEMBL6500454 0.70 MMP13 (0.58) MMP1MMP13MMP9MAPTMMP2
SCHEMBL7744256 0.70 MMP13 (0.55) MMP1MMP13ALDH1A1MAPTCYP1A2
SCHEMBL7075250 0.70 MMP13 (0.59) MMP1MMP13ALDH1A1MMP9MMP2
SCHEMBL7273970 0.69 HTT (0.55) MMP1MMP13ALDH1A1MMP8HTT
SCHEMBL6723666 0.69 MMP9 (0.72) MMP1MMP13MMP9MMP2MMP3
SCHEMBL5839717 0.69 MMP9 (0.92) MMP1MMP13MMP9MMP2MMP3

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
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO disclosed