SCHEMBL8621568

SCHEMBL8621568

CCCCc1oc2ccc([N+](=O)[O-])cc2c1C(=O)c1cc(Br)c(CC)c(Br)c1OCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ TTR P02766 1/20 0.40
▸ PTPN1 P18031 3/20 0.40
▸ SIRT3 Q9NTG7 4/20 0.38
▸ NR1H4 Q96RI1 2/20 0.37
▸ SMPD1 P17405 1/20 0.37
▸ KDM4A O75164 3/20 0.36
▸ KDM5A P29375 3/20 0.36
▸ ING2 Q9H160 1/20 0.36
▸ KDM7A Q6ZMT4 1/20 0.35

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
SCHEMBL8621630 0.86 THRA (0.53) THRATHRBSIRT3SMPD1KDM4A
SCHEMBL8619759 0.85 HTT (0.35) THRATHRBNR1H4
SCHEMBL8624478 0.82 THRB (0.43) THRATHRBTTRPTPN1SIRT3
SCHEMBL8620714 0.79 THRA (0.45) THRATHRBSIRT3
SCHEMBL8619555 0.76 TTR (0.69) THRATHRBTTRPTPN1SIRT3
SCHEMBL4891172 0.75 EYA3 (0.57) THRATHRBTTRPTPN1SIRT3
SCHEMBL4274820 0.75 CA12 (0.48) TTRPTPN1
SCHEMBL811950 0.74 CA12 (0.47) THRATHRBTTRPTPN1
SCHEMBL8621571 0.74 TTR (0.48) THRATHRBTTRPTPN1SIRT3
SCHEMBL4279914 0.74 EYA3 (0.50) THRATHRBTTRPTPN1SIRT3

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 2 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 disclosed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 — — EP disclosed
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