SCHEMBL8875237

SCHEMBL8875237

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.38
CYP1A2 P05177 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
BLM P54132 1/20 0.37
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGLN1 Q9GZT9 2/20 0.35
LRRK2 Q5S007 2/20 0.35
PTGS2 P35354 1/20 0.35
EGFR P00533 3/20 0.34
NAMPT P43490 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KMT2A Q03164 1/20 0.34
KCNA5 P22460 1/20 0.34

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
SCHEMBL8916746 0.90 EGLN1 (0.42) P4HTMCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8875475 0.89 P4HTM (0.39) P4HTMCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8097664 0.88 ABL1 (0.37) P4HTMCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8875238 0.86 MEN1 (0.44) P4HTMCYP1A2HSP90AA1HSP90AB1BLM
SCHEMBL8874117 0.83 P4HTM (0.38) P4HTMHTTSMN1; SMN2PTGS2EGFR
SCHEMBL8917617 0.82 LIMK1 (0.42) P4HTMEGLN1PTGS2
SCHEMBL8875242 0.82 LIMK1 (0.39) P4HTMHTTSMN1; SMN2PTGS2EGFR
SCHEMBL8917435 0.82 LMNA (0.38) P4HTMLMNAHPGDHTTSMN1; SMN2
SCHEMBL8875047 0.81 SMN1; SMN2 (0.36) P4HTMLMNAHPGDHTTSMN1; SMN2
SCHEMBL8873580 0.80 EGLN1 (0.41) P4HTMLMNAHPGDHTTSMN1; SMN2

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