SCHEMBL30586138

SCHEMBL30586138

CC(C)n1nc(Cc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)oc1=O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 12/20 0.55
▸ THRA P10827 6/20 0.55
▸ MEN1 O00255 1/20 0.42
▸ NR1I2 O75469 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ P2RX7 Q99572 7/20 0.39
▸ ABCB11 O95342 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
SCHEMBL30586160 0.88 THRB (0.41) THRBTHRAMEN1NR1I2KMT2A
SCHEMBL30586154 0.83 THRA (0.43) THRBTHRAP2RX7
SCHEMBL30586146 0.82 THRB (0.46) THRBTHRA
SCHEMBL30586143 0.81 THRA (0.49) THRBTHRA
SCHEMBL30586163 0.81 THRA (0.41) THRBTHRA
SCHEMBL29134028 0.81 THRA (0.41) THRBTHRA
SCHEMBL30586142 0.81 THRA (0.41) THRBTHRA
SCHEMBL30586145 0.80 THRA (0.41) THRBTHRAKMT2A
SCHEMBL29134033 0.80 THRA (0.60) THRBTHRA
SCHEMBL30586148 0.79 THRA (0.42) THRBTHRA

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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