SCHEMBL9018300

SCHEMBL9018300

CCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER4 P35408 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 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
SCHEMBL9018134 0.93 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9018207 0.92 PPARA (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9018255 0.91 ALDH1A1 (0.46) NPC1RAB9APKMSMN1; SMN2MAPT
SCHEMBL9018272 0.88 RAB9A (0.41) RAB9ASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL9018213 0.88 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL9018023 0.88 CA1 (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9018348 0.88 NPC1 (0.42) NPC1RAB9APKMSMN1; SMN2MAPT
SCHEMBL9018147 0.88 RAB9A (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9018350 0.88 ALDH1A1 (0.44) NPC1RAB9APKMSMN1; SMN2MAPT
SCHEMBL9137598 0.88 NPC1 (0.43) NPC1RAB9APKMSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed