SCHEMBL4192230

SCHEMBL4192230

O=S(=O)(Nc1cccc(Oc2c(Cl)cc(CBr)cc2Cl)c1)N1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.48
POLB P06746 1/20 0.38
FKBP1A P62942 2/20 0.36
ACLY P53396 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAP2K1 Q02750 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FAAH O00519 1/20 0.33
GUSB P08236 1/20 0.33
RORC P51449 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL4197439 0.91 MAPK14 (0.48) MAPK14POLBFKBP1AACLYALDH1A1
SCHEMBL3748047 0.88 MAPK14 (0.46) MAPK14POLBFKBP1AACLYALDH1A1
SCHEMBL4190078 0.84 MAPK14 (0.43) MAPK14POLBFKBP1AACLYALDH1A1
SCHEMBL4191639 0.83 MAPK14 (0.45) MAPK14POLBFKBP1AALDH1A1LMNA
SCHEMBL282424 0.73 THRB (0.44) POLBFKBP1AALDH1A1LMNAMEN1
SCHEMBL2329034 0.65 LMNA (0.50) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL282166 0.63 THRB (0.44) POLBFKBP1ALMNAMEN1KMT2A
SCHEMBL23752377 0.62 MAPK14 (1.00) MAPK14FKBP1AMAP2K1KMT2AFAAH
SCHEMBL282039 0.61 THRB (0.53) POLBFKBP1AALDH1A1LMNAMEN1
SCHEMBL31597071 0.60 RYR2 (0.53) FKBP1AALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689383-A4 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS INC (US) 2009-02-18 EP disclosed
EP-1689383-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS Metabasis Therapeutics, Inc. (US) 2006-08-16 EP disclosed
WO-2005051298-A2 NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS METABASIS THERAPEUTICS, INC. (US) 2005-06-09 WO disclosed