SCHEMBL28676212

SCHEMBL28676212

Nc1cc(I)cc(I)c1N

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.41
▸ CA1 P00915 4/20 0.37
▸ CA2 P00918 4/20 0.37
▸ CA9 Q16790 4/20 0.37
▸ PTK2 Q05397 1/20 0.32
▸ CA3 P07451 1/20 0.31
▸ ERN1 O75460 1/20 0.30

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
SCHEMBL612619 0.84 CA1 (0.48) TTRCA1CA2CA9CA3
SCHEMBL19693251 0.77 TTR (0.41) TTRPTK2ERN1
SCHEMBL4704594 0.72 CYP3A4 (0.40) CA1CA2CA9
SCHEMBL29066927 0.72 CYP3A4 (0.43) TTRCA1CA2CA9
SCHEMBL18426752 0.72 CA1 (0.39) CA1CA2CA9
SCHEMBL12834005 0.72 ALDH1A1 (0.43) TTR
SCHEMBL18935964 0.72 CA1 (0.52) TTRCA1CA2CA9
SCHEMBL29674748 0.72 CA1 (0.38) CA1CA2CA9CA3
SCHEMBL314604 0.72 CA1 (0.38) CA1CA2CA9CA3
SCHEMBL20160514 0.67 — —

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
CN-112225675-B Arylamine compound, liquid crystal aligning agent prepared from arylamine compound, liquid crystal aligning film and liquid crystal display element 江苏三月科技股份有限公司 2021-07-06 — — CN disclosed
CN-112225675-A Arylamine compound, liquid crystal aligning agent prepared from arylamine compound, liquid crystal aligning film and liquid crystal display element 江苏三月科技股份有限公司 2021-01-15 — — CN disclosed
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