SCHEMBL28340488

SCHEMBL28340488

COC(=O)C(Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.78
KCNH2 Q12809 1/20 0.73
MMP2 P08253 11/20 0.72
MMP9 P14780 11/20 0.72
NR3C1 P04150 1/20 0.69
AIMP2 Q13155 2/20 0.61
ALOX5 P09917 1/20 0.60

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
SCHEMBL8449351 0.94 MMP9 (0.82) KCNA5KCNH2MMP2MMP9NR3C1
SCHEMBL8448255 0.94 MMP9 (0.82) KCNA5KCNH2MMP2MMP9NR3C1
SCHEMBL7382312 0.91 KCNA5 (0.83) KCNA5KCNH2MMP2MMP9AIMP2
SCHEMBL7377638 0.91 KCNA5 (0.77) KCNA5KCNH2MMP2MMP9
SCHEMBL7382309 0.91 KCNA5 (0.83) KCNA5KCNH2MMP2MMP9AIMP2
SCHEMBL7377632 0.91 KCNA5 (0.77) KCNA5KCNH2MMP2MMP9
SCHEMBL5097901 0.91 KCNA5 (0.77) KCNA5KCNH2MMP2MMP9
SCHEMBL3154749 0.89 MMP9 (0.88) KCNA5MMP2MMP9NR3C1
SCHEMBL3154764 0.89 MMP9 (0.88) KCNA5MMP2MMP9NR3C1
SCHEMBL29883928 0.89 MMP2 (0.69) KCNA5KCNH2MMP2MMP9NR3C1

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
CN-108484610-B Preparation method of peroxy-substituted pyrrole/furoindoline 华中科技大学 2020-01-10 CN disclosed