SCHEMBL9018099

SCHEMBL9018099

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
P4HTM Q9NXG6 3/20 0.41
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
KAT6A Q92794 2/20 0.39
NAMPT P43490 1/20 0.39
GABRA5 P31644 3/20 0.38
CASP3 P42574 1/20 0.38
EPHX2 P34913 1/20 0.38
RAB9A P51151 1/20 0.37

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) SMN1; SMN2P4HTMBCL2L1MCL1KMT2A
SCHEMBL9018213 0.92 SMN1; SMN2 (0.45) SMN1; SMN2P4HTMBCL2L1MCL1KMT2A
SCHEMBL9018408 0.91 SMN1; SMN2 (0.46) SMN1; SMN2P4HTMBCL2L1MCL1KMT2A
SCHEMBL9018238 0.90 KMT2A (0.43) SMN1; SMN2P4HTMBCL2L1MCL1KMT2A
SCHEMBL9017995 0.90 KMT2A (0.43) SMN1; SMN2P4HTMBCL2L1MCL1KMT2A
SCHEMBL9018089 0.90 HTT (0.51) P4HTMOPRM1OPRD1OPRK1LMNA
SCHEMBL9017996 0.90 RAB9A (0.40) SMN1; SMN2P4HTMBCL2L1MCL1KMT2A
SCHEMBL9018134 0.90 RAB9A (0.49) SMN1; SMN2P4HTMKMT2AOPRM1OPRD1
SCHEMBL9018341 0.89 RAB9A (0.50) SMN1; SMN2BCL2L1MCL1KMT2AMAPT
SCHEMBL9018147 0.88 RAB9A (0.44) SMN1; SMN2P4HTMKMT2AOPRM1OPRD1

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