SCHEMBL23441640

SCHEMBL23441640

O=c1[nH]nc(Oc2c(Cl)cc(-n3nc(CF)c(=O)[nH]c3=O)cc2Cl)cc1C1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 19/20 0.55
▸ THRA P10827 15/20 0.55
▸ CYP2C9 P11712 2/20 0.49
▸ UGT1A1 P22309 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ SLCO1B1 Q9Y6L6 1/20 0.49
▸ CYP2C8 P10632 1/20 0.47

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
SCHEMBL23420401 0.99 THRB (0.54) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23441641 0.98 THRB (0.55) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23442253 0.96 THRB (0.57) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23441637 0.91 THRB (0.67) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23442254 0.90 THRA (0.51) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23441645 0.90 THRB (0.66) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23441633 0.89 THRB (0.67) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL23442829 0.87 THRB (0.69) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL24032580 0.86 THRB (0.53) THRBTHRACYP2C9UGT1A1ABCG2
SCHEMBL22632702 0.86 THRB (0.66) THRBTHRACYP2C9UGT1A1ABCG2

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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