SCHEMBL9516113

SCHEMBL9516113

CCOCc1ccc(C(=O)NS(=O)(=O)c2ccc(OCC(F)(F)C(F)(F)C(F)(F)F)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.44
EGFR P00533 2/20 0.40
BCL2L1 Q07817 7/20 0.38
MCL1 Q07820 7/20 0.38
SCN9A Q15858 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35

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
SCHEMBL9515580 0.88 P4HTM (0.43) P4HTMEGFRBCL2L1MCL1
SCHEMBL9519377 0.88 P4HTM (0.45) P4HTMEGFRBCL2L1MCL1
SCHEMBL9566765 0.85 P4HTM (0.49) P4HTMSCN9ANPC1RAB9ASMN1; SMN2
SCHEMBL8869926 0.83 P4HTM (0.47) P4HTMEGFRBCL2L1MCL1SCN9A
SCHEMBL9515461 0.83 P4HTM (0.62) P4HTMEGFRSMN1; SMN2
SCHEMBL9518074 0.83 P4HTM (0.39) P4HTMEGFRBCL2L1MCL1SCN9A
SCHEMBL9517186 0.82 BCL2L1 (0.54) P4HTMEGFRBCL2L1MCL1
SCHEMBL7862810 0.81 P4HTM (0.39) P4HTMEGFRBCL2L1MCL1SCN9A
SCHEMBL9517920 0.81 P4HTM (0.51) P4HTMEGFRBCL2L1MCL1SCN9A
SCHEMBL9515532 0.80 P4HTM (0.61) P4HTMEGFRBCL2L1MCL1

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-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed