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Sugi Predict / Compounds / SCHEMBL2358766

SCHEMBL2358766

SCHEMBL2358766

CCCOC(=O)N(c1ccc(F)c(-c2nn(CCN3CCCCC3)cc2-c2ccncc2)c1F)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 3/20 0.34
▸ PSEN2 P49810 3/20 0.34
▸ APH1B Q8WW43 3/20 0.34
▸ NCSTN Q92542 3/20 0.34
▸ APH1A Q96BI3 3/20 0.34
▸ PSENEN Q9NZ42 3/20 0.34
▸ AXL P30530 1/20 0.32
▸ PIK3CA P42336 1/20 0.31
▸ MAPK14 Q16539 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
SCHEMBL2359382 0.90 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14719463 0.90 KIF11 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2360030 0.90 MAPK14 (0.33) MAPK14
SCHEMBL14108518 0.89 MAPK14 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2358577 0.87 MAPK14 (0.39) MAPK14
SCHEMBL2318653 0.87 PSEN1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2319177 0.85 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359701 0.85 PDE10A (0.37) MAPK14
SCHEMBL17836526 0.84 MAPK14 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2359221 0.84 MAPK14 (0.38) MAPK14

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-2011092088-A1 SULFONAMIDO DERIVATIVES OF 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-08-04 — — WO claimed