SCHEMBL8869563

SCHEMBL8869563

CCCOC(=O)CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCc3ccccc3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.45
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PPARA Q07869 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8868373 0.94 P4HTM (0.45) P4HTMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8868202 0.94 ALDH1A1 (0.45) P4HTMSMN1; SMN2MAPTNFKB1ALDH1A1
SCHEMBL8868835 0.92 NPC1 (0.52) P4HTMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8868748 0.91 NPC1 (0.49) P4HTMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8868297 0.91 P4HTM (0.47) P4HTMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8868359 0.91 P4HTM (0.48) P4HTMRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8869536 0.91 POLB (0.48) P4HTMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8868801 0.91 CA2 (0.46) P4HTMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL9143419 0.90 P4HTM (0.48) P4HTMRAB9ANPC1SMN1; SMN2MAPT
SCHEMBL8868336 0.88 P4HTM (0.44) P4HTMRAB9ANPC1SMN1; SMN2MAPT

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