SCHEMBL8619949

SCHEMBL8619949

CC(C)c1oc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2c1C(=O)c1cc(I)c(OCC(=O)O)c(I)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ MAPT P10636 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 1/20 0.40
▸ PTGS2 P35354 1/20 0.39
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ SMN1; SMN2 Q16637 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
SCHEMBL8617540 0.90 THRA (0.49) THRATHRBKMT2AMEN1PTGS2
SCHEMBL8617962 0.88 THRA (0.52) THRATHRBRAB9AHTTNPC1
SCHEMBL8617561 0.88 THRB (0.47) THRATHRBMAPTKMT2ARAB9A
SCHEMBL8764667 0.81 PTGS2 (0.42) THRATHRBMAPTKMT2AMEN1
SCHEMBL8618947 0.80 ASF1A (0.42) THRATHRBMAPTKMT2AMEN1
SCHEMBL8763724 0.78 THRA (0.49) THRATHRBMAPTKMT2AMEN1
SCHEMBL8624542 0.78 ASF1A (0.44) THRBMAPTRAB9AHTTNPC1
SCHEMBL8624230 0.77 THRA (0.48) THRATHRBMAPTKMT2AMEN1
SCHEMBL8622612 0.76 THRB (0.37) THRATHRBMAPTRAB9AHTT
SCHEMBL8619765 0.76 THRA (0.67) THRATHRBMAPTKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5854282-A 3-benzoyl benzofuran derivatives as thyroid hormone antagonists KARO BIO AB (SE) 1998-12-29 — — US claimed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP claimed
US-5854282-A 3-benzoyl benzofuran derivatives as thyroid hormone antagonists KARO BIO AB (SE) 1998-12-29 — — US disclosed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP disclosed
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 — — EP disclosed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 — — WO disclosed
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