SCHEMBL30586152

SCHEMBL30586152

O=c1cnn(-c2cc(Cl)c(Cc3nn(C4CCOCC4)c(=O)o3)c(Cl)c2)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 14/20 0.46
▸ THRA P10827 5/20 0.46
▸ P2RX7 Q99572 2/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PDE9A O76083 2/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 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
SCHEMBL30586151 0.92 THRB (0.46) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL30586162 0.91 P2RX7 (0.45) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL30586155 0.84 THRA (0.39) THRBTHRAPDE9A
SCHEMBL29134012 0.82 THRA (0.51) THRBTHRAPDE9A
SCHEMBL30586149 0.81 P2RX7 (0.38) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL30586141 0.80 P2RX7 (0.39) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL30586138 0.77 THRB (0.55) THRBTHRAP2RX7MEN1NR1I2
SCHEMBL30586144 0.76 THRA (0.35) THRBTHRA
SCHEMBL29134029 0.76 THRA (0.52) THRBTHRA
SCHEMBL30586150 0.76 THRA (0.38) THRBTHRAP2RX7

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
Send feedback