SCHEMBL8869868

SCHEMBL8869868

COC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 10/20 0.66
PTGS2 P35354 4/20 0.49
PTGS1 P23219 2/20 0.48
EGFR P00533 3/20 0.47
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
AHR P35869 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8868641 0.90 P4HTM (0.54) P4HTMALDH1A1
SCHEMBL8868467 0.89 P4HTM (0.71) P4HTMEGFRKDM4EMEN1KMT2A
SCHEMBL8868172 0.88 P4HTM (0.72) P4HTMPTGS2PTGS1EGFRKDM4E
SCHEMBL8869167 0.88 P4HTM (0.54) P4HTMPTGS2PTGS1EGFRKDM4E
SCHEMBL8868236 0.87 P4HTM (0.51) P4HTMNPC1ALDH1A1RAB9AMEN1
SCHEMBL8869213 0.87 RAB9A (0.53) P4HTMNPC1ALDH1A1RAB9AKMT2A
SCHEMBL8868562 0.87 P4HTM (0.51) P4HTMNPC1RAB9AMEN1KMT2A
SCHEMBL8869289 0.87 HTT (0.53) P4HTMALDH1A1RAB9A
SCHEMBL8868326 0.87 P4HTM (0.50) P4HTMNPC1RAB9AKMT2A
SCHEMBL8868915 0.86 P4HTM (0.66) P4HTMPTGS2PTGS1EGFRALDH1A1

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-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed