SCHEMBL23442834

SCHEMBL23442834

O=C(O)c1nn(-c2cc(Cl)c(Oc3cc(C4CC4)c(=O)[nH]n3)c(Cl)c2)c(=O)[nH]c1=O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 16/20 0.69
▸ THRB P10828 18/20 0.58
▸ CYP2C9 P11712 2/20 0.50
▸ UGT1A1 P22309 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ SLCO1B1 Q9Y6L6 1/20 0.50
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL23442814 0.96 THRA (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL22632378 0.96 THRA (0.67) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30075059 0.95 THRA (0.66) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL23442841 0.90 THRA (0.59) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL23441663 0.87 THRA (0.57) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL23442818 0.87 THRA (0.57) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30075027 0.86 THRA (0.56) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL24032555 0.85 THRA (0.55) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL23442829 0.85 THRB (0.69) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL23260186 0.83 THRA (0.69) THRATHRBCYP2C9UGT1A1ABCG2

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
CN-113454069-B 1,2, 4-Triazine-3, 5-dione compound, and preparation method and application thereof 昆药集团股份有限公司 2025-03-14 — — CN disclosed
EP-4083024-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF KPC Pharmaceuticals, Inc. (CN) 2022-11-02 — — EP disclosed
WO-2021104288-A1 1,2,4-TRIAZINE-3,5-DIONE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 昆药集团股份有限公司 2021-06-03 — — WO disclosed
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