SCHEMBL18164855

SCHEMBL18164855

O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)sc2ccccc23)ccc1N(c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ F9 P00740 1/20 0.33
▸ PPARG P37231 4/20 0.32
▸ PPARA Q07869 4/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ MCL1 Q07820 2/20 0.31
▸ ACMSD Q8TDX5 1/20 0.31
▸ SCN5A Q14524 1/20 0.30
▸ SCN9A Q15858 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
SCHEMBL18164869 0.90 KEAP1 (0.32) —
SCHEMBL18164868 0.84 CA12 (0.32) CA12CA1CA2CA9PPARG
SCHEMBL18164870 0.83 PTPN7 (0.32) —
SCHEMBL18164814 0.82 ALDH1A1 (0.33) —
SCHEMBL18164800 0.81 F9 (0.32) F9
SCHEMBL18164822 0.80 F9 (0.33) F9
SCHEMBL21206183 0.80 F9 (0.46) CA12CA1CA2CA9F9
SCHEMBL18371302 0.80 F9 (0.42) CA12CA1CA2CA9F9
SCHEMBL18164803 0.79 CA1 (0.34) CA1CA2
SCHEMBL20109611 0.79 F9 (0.36) CA12CA1CA2CA9F9

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-2016167491-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS 덕산네오룩스 주식회사 2016-10-20 — — WO disclosed
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