SCHEMBL9018147

SCHEMBL9018147

CCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TP53 P04637 1/20 0.44
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NAMPT P43490 1/20 0.43
EPHX2 P34913 1/20 0.43
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 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
SCHEMBL9018134 0.95 RAB9A (0.49) RAB9AALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL9018213 0.93 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL9018089 0.91 HTT (0.51) RAB9AALDH1A1HDAC2HDAC8HDAC6
SCHEMBL9017995 0.91 KMT2A (0.43) RAB9AALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL9018238 0.91 KMT2A (0.43) RAB9ASMN1; SMN2MAPTKMT2AP4HTM
SCHEMBL9018085 0.91 RAB9A (0.47) RAB9AALDH1A1NPC1SMN1; SMN2TP53
SCHEMBL9018341 0.89 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL9018272 0.89 RAB9A (0.41) RAB9AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL9018114 0.89 HDAC2 (0.40) RAB9AHDAC2HDAC8HDAC6POLB
SCHEMBL9018007 0.88 ALDH1A1 (0.46) RAB9AALDH1A1NPC1SMN1; SMN2TP53

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