SCHEMBL29066191

SCHEMBL29066191

COc1ncc(Cc2c(C)cc(N)cc2C)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.41
THRA P10827 8/20 0.37
PIK3R1 P27986 1/20 0.35
PIK3CA P42336 1/20 0.35
P2RX3 P56373 2/20 0.34
P2RX2 Q9UBL9 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
DHFR P00374 1/20 0.33

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
SCHEMBL29527123 1.00 THRB (0.41) THRBTHRAPIK3R1PIK3CAP2RX3
SCHEMBL24449953 0.85 THRB (0.38) THRBTHRAPIK3R1PIK3CAP2RX3
SCHEMBL29527194 0.83 THRB (0.44) THRBTHRA
SCHEMBL30558161 0.79 RORC (0.41) THRBTHRAGAA
SCHEMBL29527186 0.76 RORC (0.39) THRBTHRAPIK3R1PIK3CAGAA
SCHEMBL29066177 0.76 RORC (0.39) THRBTHRAPIK3R1PIK3CAGAA
SCHEMBL6864460 0.75 THRB (0.48) THRBTHRAPOLBGAAGFER
SCHEMBL30083001 0.75 THRB (0.43) THRBTHRAP2RX3P2RX2DHFR
SCHEMBL28650685 0.75 THRB (0.43) THRBTHRAP2RX3P2RX2DHFR
SCHEMBL115578 0.74 PIK3R1 (0.40) PIK3R1PIK3CAP2RX3P2RX2POLB

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-116710443-A 2-pyridones as thyroid hormone receptor modulators 阿利戈斯治疗公司 2023-09-05 CN disclosed