SCHEMBL30586143

SCHEMBL30586143

CC(C)n1nc(Cc2c(Cl)cc(-n3nc(CO)c(=O)[nH]c3=O)cc2Cl)oc1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 15/20 0.49
▸ THRB P10828 15/20 0.49
▸ CYP2C9 P11712 2/20 0.33
▸ UGT1A1 P22309 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ SLCO1B1 Q9Y6L6 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ CYP2C8 P10632 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
SCHEMBL30586148 0.92 THRA (0.42) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30586142 0.90 THRA (0.41) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30586154 0.87 THRA (0.43) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30586146 0.86 THRB (0.46) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30586163 0.84 THRA (0.41) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29134028 0.84 THRA (0.41) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30586145 0.83 THRA (0.41) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29134033 0.83 THRA (0.60) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30586138 0.81 THRB (0.55) THRATHRB
SCHEMBL30586147 0.80 THRA (0.40) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836158-A Compound serving as thyroid hormone beta receptor agonist and application thereof 凯思凯迪(上海)医药科技有限公司 2023-10-03 — — CN disclosed
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