SCHEMBL29821635

SCHEMBL29821635

COc1cccc(Cn2cc(Oc3c(Cl)cc(-n4nc(C#N)c(=O)[nH]c4=O)cc3Cl)ccc2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 14/20 0.47
▸ THRB P10828 14/20 0.47
▸ CYP2C8 P10632 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL23168655 1.00 THRA (0.47) THRATHRBCYP2C8CYP2C9MAPT
SCHEMBL23168930 0.93 THRA (0.51) THRATHRBCYP2C8CYP2C9MAPT
SCHEMBL23168723 0.91 THRA (0.50) THRATHRBCYP2C8CYP2C9MAPT
SCHEMBL23168776 0.88 THRA (0.51) THRATHRBCYP2C8CYP2C9MAPT
SCHEMBL29822030 0.88 THRA (0.46) THRATHRBCYP2C8CYP2C9L3MBTL1
SCHEMBL23168737 0.88 THRA (0.46) THRATHRBCYP2C8CYP2C9L3MBTL1
SCHEMBL23168929 0.87 THRA (0.49) THRATHRBCYP2C8CYP2C9MAPT
SCHEMBL23168754 0.86 THRA (0.49) THRATHRBCYP2C8CYP2C9MAPT
SCHEMBL23152134 0.85 THRA (0.47) THRATHRBCYP2C8CYP2C9MAPT
SCHEMBL24819240 0.84 THRA (0.48) THRATHRBCYP2C8CYP2C9MAPT

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
EP-4036090-A1 CHEMICAL COMPOUND AS THYROID HORMONE BETA RECEPTOR AGONIST AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2022-08-03 — — EP disclosed
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