SCHEMBL9018154

SCHEMBL9018154

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
CHRM2 P08172 1/20 0.44
NPC1 O15118 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.42
KAT6A Q92794 3/20 0.42
POLB P06746 2/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL9018360 0.92 RAB9A (0.50) RAB9ACHRM2NPC1SMN1; SMN2HPGD
SCHEMBL9018116 0.92 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL9018331 0.92 RAB9A (0.40) RAB9ASMN1; SMN2HPGDCASP3
SCHEMBL9018136 0.92 RAB9A (0.53) RAB9ACHRM2NPC1SMN1; SMN2HPGD
SCHEMBL9018066 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HDAC3HDAC4
SCHEMBL9018286 0.90 GABRA5 (0.40) RAB9ASMN1; SMN2HPGDCASP3
SCHEMBL9018177 0.89 RAB9A (0.40) RAB9ANPC1SMN1; SMN2HPGDCASP3
SCHEMBL9018378 0.89 RAB9A (0.43) RAB9ANPC1SMN1; SMN2HPGDPOLB
SCHEMBL9018341 0.89 RAB9A (0.50) RAB9ACHRM2NPC1SMN1; SMN2HPGD
SCHEMBL9018075 0.89 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2KAT6ABCL2L1MCL1

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