SCHEMBL9018310

SCHEMBL9018310

CCCC(CCC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCOc3ccccc3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
BCL2L1 Q07817 4/20 0.42
MCL1 Q07820 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
P4HTM Q9NXG6 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL9018116 0.93 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL9018397 0.91 P4HTM (0.41) HPGDMEN1KMT2AP4HTMALDH1A1
SCHEMBL9018513 0.90 NPC1 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL9018180 0.90 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL9018185 0.90 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL9018091 0.89 MEN1 (0.44) RAB9ANPC1SMN1; SMN2BCL2L1MCL1
SCHEMBL9018299 0.89 EPHX2 (0.38) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL9018218 0.89 OPRK1 (0.45) RAB9ANPC1SMN1; SMN2POLBMEN1
SCHEMBL9018422 0.88 CA2 (0.41) RAB9ANPC1KMT2AP4HTMALDH1A1
SCHEMBL9018001 0.88 OPRK1 (0.44) RAB9ANPC1SMN1; SMN2HPGDMEN1

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