SCHEMBL38650553

SCHEMBL38650553

CC(C)c1cc(Oc2c(Cl)cc(C#N)cc2Cl)nnc1Cl

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 18/20 0.40
▸ THRB P10828 17/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CRHR1 P34998 1/20 0.34
▸ UGT1A1 P22309 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ SLCO1B1 Q9Y6L6 1/20 0.33
▸ RORC P51449 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
SCHEMBL21749473 1.00 THRA (0.40) THRATHRBCYP2C9CYP2C8CRHR1
SCHEMBL13116374 0.83 THRB (0.42) THRATHRBCYP2C9CYP2C8RORC
SCHEMBL30820597 0.81 THRB (0.39) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL21840329 0.81 THRA (0.38) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL13116309 0.81 THRB (0.39) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL21749438 0.81 THRA (0.38) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL22660386 0.81 THRA (0.41) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL30398362 0.81 THRA (0.41) THRATHRBCYP2C9UGT1A1ABCG2
SCHEMBL29417446 0.81 THRA (0.38) THRATHRBCYP2C9CYP2C8UGT1A1
SCHEMBL28564386 0.81 THRA (0.36) THRATHRBCYP2C9CYP2C8UGT1A1

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-112805005-B Thyroxine receptor beta agonist compounds 拓臻股份有限公司 2026-05-12 — — CN disclosed
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