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SCHEMBL5200797

SCHEMBL5200797

Cc1cc(C)c(CCOC(=O)CNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)c(C)c1.Cc1cccc(C)c1OC(=O)CCCNC1=C(c2ccccc2)S(=O)(=O)N(C(C)(C)C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL2006332 0.89 NR1H2 (0.41) NR1H2NR1H3MEN1KMT2A
SCHEMBL2006277 0.88 NR1H2 (0.42) NR1H2NR1H3MEN1KMT2A
SCHEMBL2006335 0.81 NR1H2 (0.32) NR1H2NR1H3MEN1KMT2A
SCHEMBL2006275 0.79 KMT2A (0.39) NR1H2NR1H3MEN1KMT2A
SCHEMBL30410606 0.76 NR1H2 (0.42) NR1H2NR1H3MEN1KMT2A
SCHEMBL5199416 0.75 NR1H2 (0.40) NR1H2NR1H3KMT2A
SCHEMBL2005076 0.72 NR1H2 (0.46) NR1H2NR1H3MEN1KMT2A
SCHEMBL2004365 0.71 NR1H2 (0.43) NR1H2NR1H3
SCHEMBL2000304 0.71 NR1H2 (0.48) NR1H2NR1H3MEN1KMT2A
SCHEMBL2000296 0.70 KMT2A (0.43) NR1H2NR1H3KMT2A

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
EP-1838687-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS AstraZeneca AB (SE) 2007-10-03 — — EP claimed
WO-2006073366-A1 NON-ANILINIC DERIVATIVES OF ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDES AS LIVER X RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2006-07-13 — — WO claimed