SCHEMBL8875945

SCHEMBL8875945

CCOC(=O)CN(C(=O)CN)C(=O)c1ncc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
USP2 O75604 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYSLTR1 Q9Y271 1/20 0.37
CA12 O43570 1/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NLRP3 Q96P20 1/20 0.37

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
SCHEMBL8874763 0.92 MAPT (0.41) MAPTTSHRROCK2ROCK1NPSR1
SCHEMBL8098573 0.89 MAPT (0.42) MAPTTSHRROCK2ROCK1NPSR1
SCHEMBL8098569 0.83 MAPT (0.40) MAPTTSHRROCK2ROCK1NPSR1
SCHEMBL8875576 0.80 MAPT (0.49) MAPTNPSR1CA1CA2CA9
SCHEMBL8916374 0.79 ROCK2 (0.48) MAPTTSHRROCK2ROCK1CA1
SCHEMBL8868264 0.75 MAPT (0.52) MAPTTSHRCA1CA2CA9
SCHEMBL9137896 0.74 MAPT (0.55) MAPTTSHRNPSR1CA1CA2
SCHEMBL9139948 0.74 MAPT (0.55) MAPTTSHRNPSR1CA1CA2
SCHEMBL9018414 0.73 MAPT (0.54) MAPTNPSR1CA1CA2CA9
SCHEMBL9018324 0.73 MAPT (0.54) MAPTNPSR1CA1CA2CA9

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
US-5620996-A Sulfonamidocarbonyl pyridine-2-carboxesteramides and their pyridine-N-oxide compounds and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed