SCHEMBL8623751

SCHEMBL8623751

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ CA12 O43570 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ EYA3 Q99504 6/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP2C9 P11712 3/20 0.42
▸ TTR P02766 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ BIRC5 O15392 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42

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
SCHEMBL8623723 0.88 EYA3 (0.56) HTTLMNACA12CA9EYA3
SCHEMBL8624371 0.87 HTT (0.63) HTTLMNACA12CA9EYA3
SCHEMBL8617962 0.85 THRA (0.52) HTTLMNACA12CA9EYA3
SCHEMBL8617571 0.81 HTT (0.64) HTTLMNACA12CA9CYP2C19
SCHEMBL8618726 0.78 EYA3 (0.68) HTTLMNAEYA3MAPK1TDP1
SCHEMBL8619761 0.74 PTPN1 (0.42) HTTLMNACA12CA9EYA3
SCHEMBL8619949 0.74 THRA (0.45) HTTLMNAMAPK1TDP1L3MBTL1
SCHEMBL9486241 0.72 HTT (0.86) HTTLMNACA12CA9EYA3
SCHEMBL9485478 0.72 ESR1 (0.51) ABCB11PGRHTR1AADRA2ADRD1
SCHEMBL3969280 0.71 HTT (0.60) HTTLMNACA12CA9MAPK1

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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