SCHEMBL18164803

SCHEMBL18164803

O=S(=O)(Oc1ccc(N(c2ccccc2)c2ccccc2)c(N(c2ccc3c(c2)sc2ccccc23)c2cccc3ccccc23)c1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PTPN7 P35236 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN12 Q05209 1/20 0.31
▸ PTPN22 Q9Y2R2 1/20 0.31

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
SCHEMBL18164789 0.92 CA1 (0.36) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL18164817 0.84 CA1 (0.31) CA1CA2PTPN7DUSP3PTPN12
SCHEMBL18164800 0.81 F9 (0.32) —
SCHEMBL18164822 0.80 F9 (0.33) —
SCHEMBL18927650 0.79 ALDH1A1 (0.41) —
SCHEMBL18164855 0.79 CA12 (0.34) CA1CA2
SCHEMBL20114482 0.79 MCL1 (0.34) —
SCHEMBL20109639 0.79 SIGMAR1 (0.33) —
SCHEMBL18164814 0.78 ALDH1A1 (0.33) PTPN7DUSP3PTPN12PTPN22
SCHEMBL17740703 0.78 SIGMAR1 (0.39) —

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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