SCHEMBL9490805

SCHEMBL9490805

O=[C]Nc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.62
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
MMP16 P51512 1/20 0.37
MET P08581 1/20 0.37

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
SCHEMBL4727764 0.77 CA2 (0.62)
SCHEMBL11521177 0.77 TTR (0.44) HTR6TSHRPOLBGAAKDM4E
SCHEMBL11544377 0.77 HTR6 (0.67) HTR6KMT2ATSHRHTTPOLB
SCHEMBL14372093 0.77 HTR6 (1.00) HTR6KMT2ATSHRHTTPOLB
SCHEMBL8080841 0.75 HTR6 (0.72) HTR6KMT2ATSHRHTTPOLB
SCHEMBL11199941 0.74 HTR6 (0.73) HTR6KMT2ATSHRHTTPOLB
SCHEMBL20568163 0.74 ALDH1A1 (0.54) KMT2AHTTGAAKDM4EALDH1A1
SCHEMBL8026971 0.74 HTR6 (0.68) HTR6KMT2ATSHRHTTGAA
SCHEMBL10991718 0.74 HTR6 (0.62) HTR6KMT2ATSHRHTTPOLB
SCHEMBL1177212 0.74 CA1 (0.40) HTR6KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 US disclosed
EP-0476760-A2 4-substituted isoxazole herbicides EASTMAN KODAK COMPANY (US) 1992-03-25 EP disclosed