SCHEMBL9018341

SCHEMBL9018341

CCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCOc3ccccc3)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
KAT6A Q92794 3/20 0.47
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
POLB P06746 2/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
CHRM2 P08172 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 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
SCHEMBL9018272 0.92 RAB9A (0.41) RAB9AKAT6ASMN1; SMN2KMT2AHPGD
SCHEMBL9018136 0.92 RAB9A (0.53) RAB9AKAT6ANPC1SMN1; SMN2KMT2A
SCHEMBL9018134 0.91 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL9017996 0.90 RAB9A (0.40) RAB9AKAT6ASMN1; SMN2KMT2AMAPT
SCHEMBL9017995 0.90 KMT2A (0.43) RAB9ASMN1; SMN2KMT2AHPGDMAPT
SCHEMBL9018213 0.90 SMN1; SMN2 (0.45) RAB9AKAT6ASMN1; SMN2KMT2AMAPT
SCHEMBL9018147 0.89 RAB9A (0.44) RAB9ANPC1SMN1; SMN2KMT2AHPGD
SCHEMBL9018099 0.89 SMN1; SMN2 (0.43) RAB9AKAT6ASMN1; SMN2KMT2AMAPT
SCHEMBL9018154 0.89 RAB9A (0.49) RAB9AKAT6ANPC1SMN1; SMN2HPGD
SCHEMBL9018360 0.89 RAB9A (0.50) RAB9AKAT6ANPC1SMN1; SMN2HPGD

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