SCHEMBL22926044

SCHEMBL22926044

C[S+]([O-])c1cc(OC(F)(F)F)cc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 1/20 0.44
▸ TPX2 Q9ULW0 1/20 0.44
▸ WDR5 P61964 1/20 0.39
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ PPARA Q07869 1/20 0.36
▸ PTGS2 P35354 8/20 0.36
▸ PTGS1 P23219 7/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDM5A P29375 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL24017233 0.86 AURKA (0.43) AURKATPX2WDR5MRGPRX4FAAH
SCHEMBL475754 0.81 AURKA (0.56) AURKATPX2WDR5MRGPRX4FAAH
SCHEMBL31550001 0.81 AURKA (0.56) AURKATPX2WDR5MRGPRX4FAAH
SCHEMBL11816991 0.78 MRGPRX4 (0.46) AURKATPX2WDR5MRGPRX4PPARA
SCHEMBL11818965 0.78 PPARA (0.39) AURKATPX2WDR5MRGPRX4PPARA
SCHEMBL18890162 0.77 RXRA (0.50) AURKATPX2WDR5MRGPRX4PTGS2
SCHEMBL29394747 0.77 RXRA (0.50) AURKATPX2WDR5MRGPRX4PTGS2
SCHEMBL2569605 0.77 TPMT (0.55) AURKATPX2WDR5MRGPRX4FAAH
SCHEMBL24156049 0.76 PGR (0.37) WDR5
SCHEMBL12497062 0.76 CES2 (0.46) MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021224323-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-11-11 — — WO disclosed
WO-2021105091-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 — — WO disclosed
WO-2021069567-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-04-15 — — WO disclosed
WO-2021013720-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 — — WO disclosed
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