SCHEMBL18164868

SCHEMBL18164868

O=S(=O)(Oc1cc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3oc4ccccc4c3c2)ccc1N(c1ccccc1)c1ccccc1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ PPARG P37231 4/20 0.32
▸ PPARA Q07869 4/20 0.32
▸ CYP2C19 P33261 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MCL1 Q07820 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
SCHEMBL18164855 0.84 CA12 (0.34) CA12CA1CA2CA9PPARG
SCHEMBL18164861 0.84 KMT2A (0.34) CYP2C19KDM4EMEN1KMT2ANPSR1
SCHEMBL18164852 0.83 ALOX5 (0.39) —
SCHEMBL18164799 0.82 CA12 (0.36) CA12CA1CA2CA9KDM4E
SCHEMBL18164854 0.82 HPGD (0.33) CA12CA1CA9CYP2C19KDM4E
SCHEMBL20462413 0.82 MCL1 (0.40) CA12CA1CA2CA9PPARG
SCHEMBL18164750 0.80 MCL1 (0.37) CA12CA1CA2CA9PPARG
SCHEMBL23172244 0.80 CA12 (0.40) CA12CA1CA2CA9PPARG
SCHEMBL18164809 0.80 HTT (0.35) CYP2C19KDM4EMEN1KMT2ANPSR1
SCHEMBL17740639 0.80 ALDH1A1 (0.41) CA12CA1CA2CA9CYP2C19

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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