SCHEMBL9018540

SCHEMBL9018540

O=C(Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCOc3ccccc3)cc2)cn1)OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.44
BCL2L1 Q07817 5/20 0.43
MCL1 Q07820 5/20 0.43
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
ROCK2 O75116 1/20 0.42
P4HTM Q9NXG6 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL9018268 0.99 RAB9A (0.46) RAB9ANPC1SMN1; SMN2HPGDBCL2L1
SCHEMBL9018062 0.90 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2HPGDP4HTM
SCHEMBL9018502 0.90 GABRA5 (0.43) NPC1SMN1; SMN2P4HTMPDE4APDE4B
SCHEMBL9018210 0.89 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2HPGDP4HTM
SCHEMBL9018483 0.89 GABRA5 (0.43) SMN1; SMN2P4HTMPDE4APDE4BPDE4C
SCHEMBL9018550 0.89 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2HPGDBCL2L1
SCHEMBL9018058 0.88 ACACB (0.43) RAB9ANPC1SMN1; SMN2ROCK2P4HTM
SCHEMBL9018239 0.87 ALDH1A1 (0.40) RAB9ANPC1SMN1; SMN2HPGDP4HTM
SCHEMBL9139907 0.87 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HPGDBCL2L1
SCHEMBL9018508 0.87 HSP90AA1 (0.42) RAB9ANPC1P4HTMALDH1A1

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