SCHEMBL9018048

SCHEMBL9018048

CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCOc3ccccc3)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.52
RAB9A P51151 8/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
BCL2L1 Q07817 4/20 0.46
MCL1 Q07820 4/20 0.46
P4HTM Q9NXG6 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42

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
SCHEMBL9018185 0.92 RAB9A (0.55) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL9018240 0.90 BCL2L1 (0.52) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL9018050 0.90 P4HTM (0.44) HPGDP4HTMMEN1KMT2A
SCHEMBL9018429 0.89 NPC1 (0.51) NPC1RAB9ASMN1; SMN2POLBP4HTM
SCHEMBL9017994 0.89 EGFR (0.41) NPC1RAB9ASMN1; SMN2HPGDP4HTM
SCHEMBL9018116 0.89 RAB9A (0.50) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL9018180 0.89 RAB9A (0.52) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL9018251 0.88 MAPT (0.49) NPC1RAB9ASMN1; SMN2BCL2L1MCL1
SCHEMBL7862722 0.88 NPC1 (0.51) NPC1RAB9ASMN1; SMN2HPGDPOLB
SCHEMBL9018204 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2POLBP4HTM

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