SCHEMBL8917687

SCHEMBL8917687

CC(C)COc1cc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cnc1C(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8916374 0.91 ROCK2 (0.48) MAPTBCL2L1MCL1PTGS1PTGS2
SCHEMBL8768350 0.89 MAPT (0.44) MAPTBCL2L1MCL1PTGS1PTGS2
SCHEMBL8916345 0.85 EGLN1 (0.51) MAPTBCL2L1MCL1PTGS1PTGS2
SCHEMBL8915243 0.83 LMNA (0.45) MAPTMEN1KMT2ACA12CA1
SCHEMBL8917435 0.82 LMNA (0.38) PTGS2CA1CA2CA9LMNA
SCHEMBL8917593 0.82 L3MBTL1 (0.43) MAPTKMT2ANPC1RAB9ANPSR1
SCHEMBL8768266 0.81 ROCK2 (0.46) MAPTBCL2L1MCL1PTGS1PTGS2
SCHEMBL8874763 0.81 MAPT (0.41) MAPTBCL2L1MCL1PTGS1PTGS2
SCHEMBL8867801 0.80 MAPT (0.52) MAPTBCL2L1MCL1PTGS1PTGS2
SCHEMBL9140513 0.78 MAPT (0.50) MAPTBCL2L1MCL1PTGS2MEN1

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-5610172-A Sulfonamidocarbonylpyridine-2-carboxamides and pyridine-n-oxides which are useful as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed