SCHEMBL8764667

SCHEMBL8764667

O=C(O)COc1c(I)cc(C(=O)c2cc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.42
▸ ACHE P22303 1/20 0.41
▸ MEN1 O00255 8/20 0.41
▸ KMT2A Q03164 8/20 0.41
▸ MAPT P10636 6/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ TYMS P04818 1/20 0.40

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
SCHEMBL8764658 0.88 KMT2A (0.47) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL8619949 0.81 THRA (0.45) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL8765061 0.78 CLK1 (0.46) PTGS2MEN1KMT2AMAPTRAB9A
SCHEMBL8729041 0.74 THRA (0.61) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL18976128 0.69 MAPT (0.47) PTGS2ACHEMEN1KMT2AMAPT
SCHEMBL8617962 0.69 THRA (0.52) RAB9ANPC1THRBHTTTHRA
SCHEMBL8617561 0.68 THRB (0.47) PTGS2KMT2AMAPTRAB9ANPC1
SCHEMBL8619765 0.67 THRA (0.67) MEN1KMT2AMAPTTHRBHTT
SCHEMBL23258256 0.67 MMP2 (0.57) MEN1KMT2AMAPTRAB9AMMP2
SCHEMBL8618732 0.67 THRA (0.66) MEN1KMT2AMAPTTHRBHTT

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
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 — — EP claimed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 — — WO claimed
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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