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Sugi Predict / Compounds / SCHEMBL5077533

SCHEMBL5077533

SCHEMBL5077533

COC(=O)C(F)Cc1cc(Br)c(Oc2ccc(N)cc2)c(Br)c1.COC(=O)CCc1cc(Br)c(Oc2ccc(N)cc2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 15/20 0.43
▸ THRA P10827 14/20 0.43
▸ PPARG P37231 1/20 0.35
▸ PCNA P12004 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ADRB2 P07550 1/20 0.34
▸ ADRB1 P08588 1/20 0.34

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
SCHEMBL3145982 0.91 THRB (0.40) THRBTHRAPPARGPCNA
SCHEMBL3131477 0.89 THRB (0.48) THRBTHRAPCNAMAPT
SCHEMBL14385501 0.85 THRB (0.37) THRBTHRAPPARGPCNA
SCHEMBL14386131 0.82 THRA (0.42) THRBTHRAPCNAMAPTADRB2
SCHEMBL3142103 0.82 THRB (0.44) THRBTHRAPCNAMAPT
SCHEMBL3910551 0.80 THRA (0.41) THRBTHRAPPARG
SCHEMBL3908141 0.78 THRA (0.49) THRBTHRAMAPT
SCHEMBL3915777 0.78 THRB (0.44) THRBTHRAPCNA
SCHEMBL3130002 0.77 THRA (0.39) THRBTHRAPPARG
SCHEMBL3911699 0.76 KMT2A (0.40) THRBTHRAMAPT

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-1899309-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2008-03-19 — — EP disclosed
WO-2007003419-A1 HETEROCYCLIC COMPOUNDS AS AGONISTS FOR THE THYROID RECEPTOR KARO BIO AB (SE) 2007-01-11 — — WO disclosed