SCHEMBL10845706

SCHEMBL10845706

O=S(=O)(CC(F)(F)F)c1nc2cc(Cl)c(Cl)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.48
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PRKAG1 P54619 3/20 0.40
▸ PRKAA2 P54646 3/20 0.40
▸ PRKAB1 Q9Y478 3/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ GRIN2D O15399 2/20 0.39
▸ GRIN3B O60391 2/20 0.39
▸ GRIA1 P42261 2/20 0.39
▸ GRIA2 P42262 2/20 0.39
▸ GRIA3 P42263 2/20 0.39
▸ GRIA4 P48058 2/20 0.39
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2A Q12879 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ GRIN2C Q14957 2/20 0.39
▸ GRIN3A Q8TCU5 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GRIK1 P39086 1/20 0.39

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
SCHEMBL10843980 0.83 HRH4 (0.38) GAAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10844524 0.82 ATM (0.43) GAAPDE10A
SCHEMBL10852463 0.79 HSD17B10 (0.37) ARGAAEGLN1OPRL1
SCHEMBL10844658 0.78 ALDH1A1 (0.36) GAALMNAOPRL1
SCHEMBL10850313 0.77 HSD17B10 (0.61) GAAHTT
SCHEMBL10846080 0.77 GAA (0.47) GAA
SCHEMBL29770350 0.76 AR (0.45) ARGAAHTTPRKAG1PRKAA2
SCHEMBL27203431 0.76 AR (0.45) ARGAAHTTPRKAG1PRKAA2
SCHEMBL10849255 0.76 L3MBTL1 (0.57) GAALMNA
SCHEMBL10847830 0.75 ALDH1A1 (0.34) GAA

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-4608381-A ANTIARTHRITIC AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1986-08-26 — — US claimed
US-4608381-A ANTIARTHRITIC AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1986-08-26 — — US disclosed
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