SCHEMBL8875475

SCHEMBL8875475

CCOC(=O)CNC(=O)c1ncc(C(=O)NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.39
CYP1A2 P05177 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PTGS2 P35354 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
EGFR P00533 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LRRK2 Q5S007 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8874117 0.93 P4HTM (0.38) P4HTMSMN1; SMN2PTGS2HTTKMT2A
SCHEMBL8875242 0.93 LIMK1 (0.39) P4HTMSMN1; SMN2PTGS2HTTKMT2A
SCHEMBL8875238 0.92 MEN1 (0.44) P4HTMCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8916746 0.90 EGLN1 (0.42) P4HTMCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8875047 0.90 SMN1; SMN2 (0.36) P4HTMSMN1; SMN2PTGS2HTTLMNA
SCHEMBL8873580 0.90 EGLN1 (0.41) P4HTMSMN1; SMN2PTGS2HTTLMNA
SCHEMBL8875237 0.89 P4HTM (0.38) P4HTMCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8096944 0.87 SMN1; SMN2 (0.39) P4HTMCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8874936 0.87 PTGS2 (0.46) P4HTMSMN1; SMN2PTGS2KMT2AEGFR
SCHEMBL8874675 0.83 L3MBTL1 (0.43) CYP1A2BLMSMN1; SMN2HTTLMNA

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