SCHEMBL29943172

SCHEMBL29943172

CC(C)C1=CC(Oc2c(Cl)cc(-n3ncc(=O)n(CF)c3=O)cc2Cl)=CNC1O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.35
▸ THRB P10828 4/20 0.35
▸ P2RX7 Q99572 1/20 0.32
▸ NPBWR1 P48145 4/20 0.31
▸ MCHR1 Q99705 3/20 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
SCHEMBL28865196 0.73 THRB (0.47) THRATHRBNPBWR1MCHR1
SCHEMBL24667732 0.72 THRA (0.58) THRATHRB
SCHEMBL28865192 0.71 THRB (0.37) THRATHRB
SCHEMBL28865171 0.66 THRA (0.66) THRATHRB
SCHEMBL29527283 0.60 THRB (0.48) THRATHRBNPBWR1MCHR1
SCHEMBL31524000 0.59 THRA (0.68) THRATHRB
SCHEMBL23276608 0.59 THRA (0.39) THRATHRB
SCHEMBL29527120 0.59 THRB (0.39) THRATHRBNPBWR1MCHR1
SCHEMBL29526892 0.59 THRB (0.41) THRATHRBNPBWR1MCHR1
SCHEMBL24026025 0.58 THRA (0.59) THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022194073-A1 SALT FORM AND CRYSTAL FORM OF 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, AND PREPARATION METHOD THEREFOR 昆药集团股份有限公司 2022-09-22 — — WO disclosed
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