SCHEMBL8623723

SCHEMBL8623723

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 4/20 0.56
▸ SLC22A12 Q96S37 8/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CYP2C19 P33261 2/20 0.46
▸ TTR P02766 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ EYA2 O00167 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ PLIN1 O60240 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ ALB P02768 1/20 0.43
▸ ESR1 P03372 1/20 0.43

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
SCHEMBL8623751 0.88 HTT (0.51) EYA3LMNAHTTCA12CA9
SCHEMBL8624371 0.86 HTT (0.63) EYA3SLC22A12LMNAHTTCA12
SCHEMBL8619761 0.82 PTPN1 (0.42) EYA3SLC22A12LMNAHTTCA12
SCHEMBL8617571 0.80 HTT (0.64) SLC22A12LMNAHTTCA12CA9
SCHEMBL15698033 0.80 EYA3 (0.83) EYA3SLC22A12LMNACYP2C19TTR
SCHEMBL8619555 0.79 TTR (0.69) EYA3SLC22A12LMNAHTTCA12
SCHEMBL8617962 0.76 THRA (0.52) EYA3LMNAHTTCA12CA9
SCHEMBL20702018 0.74 EYA3 (0.59) EYA3SLC22A12LMNAHTTCYP2C19
SCHEMBL20702027 0.74 EYA3 (0.72) EYA3SLC22A12LMNAHTTCYP2C19
SCHEMBL25815049 0.73 SLC22A12 (0.71) EYA3SLC22A12LMNACYP2C19TTR

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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