SCHEMBL8764658

SCHEMBL8764658

O=C(O)COc1c(I)cc(C(=O)c2cc3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ THRA P10827 2/20 0.43
▸ THRB P10828 2/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 5/20 0.42
▸ TP53 P04637 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL8764667 0.88 PTGS2 (0.42) KMT2ATHRATHRBNPC1MEN1
SCHEMBL8765061 0.80 CLK1 (0.46) KMT2ANPC1MEN1RAB9AMAPT
SCHEMBL8618732 0.78 THRA (0.66) KMT2ATHRATHRBMEN1MAPT
SCHEMBL8729041 0.77 THRA (0.61) KMT2ATHRATHRBNPC1MEN1
SCHEMBL8617540 0.72 THRA (0.49) KMT2ATHRATHRBMEN1TP53
SCHEMBL8764593 0.70 SMN1; SMN2 (0.52) KMT2ATHRATHRBNPC1MEN1
SCHEMBL8617561 0.70 THRB (0.47) KMT2ATHRATHRBNPC1RAB9A
SCHEMBL8619765 0.70 THRA (0.67) KMT2ATHRATHRBMEN1MAPT
SCHEMBL8620054 0.69 THRA (0.65) THRATHRB
SCHEMBL8619949 0.69 THRA (0.45) KMT2ATHRATHRBNPC1MEN1

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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