SCHEMBL8619759

SCHEMBL8619759

CCc1c(Br)cc(C(=O)c2c(C(C)C)oc3ccc([N+](=O)[O-])cc23)c(OCC(=O)O)c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NR1H4 Q96RI1 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ THRA P10827 4/20 0.32
▸ THRB P10828 4/20 0.32
▸ MAPT P10636 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ EYA3 Q99504 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31

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
SCHEMBL8621007 0.86 NR1H4 (0.36) LMNANR1H4THRATHRBSLC22A12
SCHEMBL8621568 0.85 THRA (0.47) NR1H4THRATHRB
SCHEMBL8617962 0.79 THRA (0.52) HTTLMNACA12CA9MAPK1
SCHEMBL8618728 0.79 MAPT (0.39) HTTNPC1RAB9ATHRBMAPT
SCHEMBL8619761 0.74 PTPN1 (0.42) HTTLMNACA12CA9NR1H4
SCHEMBL8624478 0.73 THRB (0.43) LMNANR1H4MAPK1THRATHRB
SCHEMBL8623723 0.72 EYA3 (0.56) HTTLMNACA12CA9NR1H4
SCHEMBL8620047 0.71 THRA (0.39) LMNANR1H4THRATHRBSLC22A12
SCHEMBL8621630 0.71 THRA (0.53) HTTLMNAMAPK1TDP1THRA
SCHEMBL8624371 0.70 HTT (0.63) 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 4 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
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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