SCHEMBL25391141

SCHEMBL25391141

CCCCc1oc2c(Cl)cc(Br)cc2c1C(=O)c1cc(I)c(O)c(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 2/20 0.59
▸ TTR P02766 5/20 0.53
▸ CYP2C9 P11712 2/20 0.45
▸ SIRT3 Q9NTG7 4/20 0.45
▸ THRA P10827 3/20 0.45
▸ THRB P10828 3/20 0.45
▸ KDM5A P29375 7/20 0.44
▸ KDM4A O75164 3/20 0.44
▸ ABCB11 O95342 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ DRD1 P21728 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ ING2 Q9H160 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ BIRC5 O15392 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL25389535 0.87 EYA3 (0.59) EYA3TTRCYP2C9SIRT3THRA
SCHEMBL25391834 0.84 EYA3 (0.61) EYA3TTRCYP2C9SIRT3THRA
SCHEMBL25391545 0.83 EYA3 (0.70) EYA3TTRCYP2C9SIRT3THRA
SCHEMBL25392908 0.82 EYA3 (0.59) EYA3TTRCYP2C9SIRT3THRA
SCHEMBL25391802 0.82 EYA3 (0.62) EYA3TTRCYP2C9SIRT3THRA
SCHEMBL25390577 0.81 EYA3 (0.64) EYA3TTRCYP2C9SIRT3THRA
SCHEMBL25387610 0.81 TTR (0.60) EYA3TTRCYP2C9SIRT3THRB
SCHEMBL25389819 0.81 EYA3 (0.73) EYA3TTRCYP2C9SIRT3THRA
SCHEMBL25387891 0.79 EYA3 (0.73) EYA3TTRCYP2C9SIRT3THRA
SCHEMBL25391104 0.78 TTR (0.71) EYA3TTRCYP2C9SIRT3THRA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023149549-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 — — WO disclosed
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