SCHEMBL8560478

SCHEMBL8560478

CN(C)S(=O)(=O)c1nc2cc3c(cc2[nH]1)OC(F)(F)C(F)(F)O3

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 7/20 0.38
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATP4A P20648 5/20 0.34
ATP4B P51164 5/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34
ATP1A1 P05023 1/20 0.32
ATP1B1 P05026 1/20 0.32
ATP1A3 P13637 1/20 0.32
ATP1B2 P14415 1/20 0.32
ATP1A2 P50993 1/20 0.32
ATP1B3 P54709 1/20 0.32
FXYD2 P54710 1/20 0.32
ATP1A4 Q13733 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL8043985 0.70 ATP4A (0.36) CSNK1EGAAATP4AATP4BCSNK1G3
SCHEMBL7063180 0.70 CSNK1E (0.34) CSNK1EATP4AATP4BCSNK1G3ATP1A1
SCHEMBL10626657 0.68 KDM4E (0.51) CSNK1EHSD17B10CSNK1G3
SCHEMBL10466288 0.67 L3MBTL1 (0.62) HSD17B10
SCHEMBL6994892 0.67 PSMB8 (0.46) CSNK1EATP4AATP4BCSNK1G3ATP1A1
SCHEMBL8552843 0.65
SCHEMBL8265318 0.64 MAPT (0.46) CSNK1EGAAHSD17B10ATP4AATP4B
SCHEMBL16671383 0.63 CSNK1E (0.44) CSNK1EATP4AATP4BCSNK1G3ATP1A1
SCHEMBL9688607 0.62 CSNK1E (0.32) CSNK1EATP4AATP4BCSNK1G3NPY5R
SCHEMBL16134470 0.61 GAA (0.62) GAAHSD17B10

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
EP-0820457-A1 BENZIMIDAZOLE DERIVATIVES BAYER AG (DE) 1998-01-28 EP disclosed