SCHEMBL8868993

SCHEMBL8868993

O=C(NCCc1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCCO)nc2)c1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
P4HTM Q9NXG6 2/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HTT P42858 1/20 0.42
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
HPGDS O60760 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 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
SCHEMBL8869181 0.93 P4HTM (0.54) NPC1RAB9AP4HTMMEN1KMT2A
SCHEMBL8869497 0.92 NPC1 (0.48) NPC1RAB9AP4HTMMAPTSMN1; SMN2
SCHEMBL8868570 0.92 HIF1A (0.48) NPC1RAB9AP4HTMMEN1KMT2A
SCHEMBL9138221 0.92 P4HTM (0.58) NPC1RAB9AP4HTMMAPTSMN1; SMN2
SCHEMBL8870620 0.91 CA1 (0.44) NPC1RAB9AP4HTMMEN1KMT2A
SCHEMBL8867299 0.90 CA1 (0.43) NPC1RAB9AP4HTMMEN1KMT2A
SCHEMBL9140242 0.89 NPC1 (0.46) NPC1RAB9AP4HTMMAPTSMN1; SMN2
SCHEMBL8870254 0.89 P4HTM (0.48) NPC1RAB9AP4HTMMEN1KMT2A
SCHEMBL8867656 0.89 MAPT (0.54) NPC1RAB9AP4HTMMEN1KMT2A
SCHEMBL8869154 0.89 MAPT (0.54) NPC1RAB9AP4HTMMEN1KMT2A

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