SCHEMBL8867435

SCHEMBL8867435

CCCOC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCCCc3ccccc3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
P4HTM Q9NXG6 3/20 0.46
CA2 P00918 2/20 0.42
MLYCD O95822 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
OPRK1 P41145 1/20 0.41
PPARA Q07869 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41

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
SCHEMBL8869197 0.98 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8868835 0.94 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8869243 0.94 P4HTM (0.47) NPC1RAB9ASMN1; SMN2MAPTP4HTM
SCHEMBL8868748 0.92 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8869769 0.91 P4HTM (0.48) NPC1RAB9ASMN1; SMN2MAPTP4HTM
SCHEMBL8869875 0.91 P4HTM (0.48) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL8870171 0.91 P4HTM (0.49) NPC1RAB9ASMN1; SMN2P4HTMMLYCD
SCHEMBL9140543 0.90 P4HTM (0.48) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL8870231 0.90 CA2 (0.47) SMN1; SMN2MAPTMEN1KMT2AP4HTM
SCHEMBL8869147 0.90 P4HTM (0.46) SMN1; SMN2MAPTMEN1KMT2AP4HTM

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