SCHEMBL13799679

SCHEMBL13799679

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

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 16/20 0.83
MMP2 P08253 13/20 0.83
KCNA5 P22460 1/20 0.70
MEN1 O00255 1/20 0.68
POLB P06746 1/20 0.68
KMT2A Q03164 1/20 0.68
ADAM17 P78536 2/20 0.67

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
SCHEMBL8576707 1.00 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL8603495 1.00 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL6720186 0.92 MMP9 (0.89) MMP9MMP2KCNA5MEN1POLB
SCHEMBL5191094 0.92 MMP9 (0.89) MMP9MMP2KCNA5MEN1POLB
SCHEMBL7301154 0.91 MMP9 (1.00) MMP9MMP2KCNA5MEN1POLB
SCHEMBL7468990 0.89 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL7468980 0.89 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL3154764 0.89 MMP9 (0.88) MMP9MMP2KCNA5MEN1POLB
SCHEMBL22500283 0.89 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB
SCHEMBL22500298 0.89 MMP9 (0.83) MMP9MMP2KCNA5MEN1POLB

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-20090142845-A1 FLOW REACTOR METHOD AND APPARATUS SMITHKLINE BEECHAM CORPORATION 2009-06-04 US disclosed
US-20090142845-A1 FLOW REACTOR METHOD AND APPARATUS SMITHKLINE BEECHAM CORPORATION 2009-06-04 US disclosed