SCHEMBL14489016

SCHEMBL14489016

O=C(c1cc(Oc2c(Cl)cc(-c3nnn[nH]3)c3c2CCC3)ccc1O)N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 11/20 0.51
THRA P10827 3/20 0.51
HSP90AA1 P07900 3/20 0.37
PARP1 P09874 1/20 0.34
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALPL P05186 1/20 0.32

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
SCHEMBL14488858 0.99 THRB (0.53) THRBTHRAHSP90AA1PARP1AURKA
SCHEMBL7042657 0.85 THRB (0.56) THRBTHRAHSP90AA1PARP1ALDH1A1
SCHEMBL7040403 0.84 THRB (0.57) THRBTHRAHSP90AA1PARP1ALDH1A1
SCHEMBL14488987 0.82 THRB (0.52) THRBTHRAALDH1A1
SCHEMBL14488977 0.82 THRB (0.53) THRBTHRAAURKAAURKBALDH1A1
SCHEMBL14488988 0.82 THRB (0.53) THRBTHRAALDH1A1
SCHEMBL14488980 0.81 THRB (0.54) THRBTHRAALDH1A1
SCHEMBL14488845 0.79 THRB (0.46) THRBTHRA
SCHEMBL14488851 0.78 THRB (0.40) THRBTHRAALDH1A1
SCHEMBL14489323 0.77 THRB (0.39) THRBTHRA

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-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed