SCHEMBL9018024

SCHEMBL9018024

CCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.56
PTGS2 P35354 4/20 0.47
PTGS1 P23219 1/20 0.46
EGFR P00533 4/20 0.45
KAT6A Q92794 2/20 0.42
GABRA5 P31644 1/20 0.41
BCL2L1 Q07817 2/20 0.41
MCL1 Q07820 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
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL9018025 0.93 P4HTM (0.53) P4HTMPTGS2PTGS1EGFRKAT6A
SCHEMBL9018013 0.91 P4HTM (0.58) P4HTMPTGS2PTGS1EGFRGABRA5
SCHEMBL9018391 0.86 L3MBTL1 (0.56) BCL2L1MCL1HDAC1HDAC2
SCHEMBL9018089 0.86 HTT (0.51) P4HTMHDAC2HDAC8HDAC6
SCHEMBL9018099 0.86 SMN1; SMN2 (0.43) P4HTMKAT6AGABRA5BCL2L1MCL1
SCHEMBL7870518 0.86 P4HTM (0.64) P4HTMPTGS2PTGS1EGFRBCL2L1
SCHEMBL9018134 0.86 RAB9A (0.49) P4HTMHDAC3HDAC4HDAC1HDAC7
SCHEMBL9018341 0.85 RAB9A (0.50) KAT6ABCL2L1MCL1HDAC3HDAC4
SCHEMBL9018209 0.85 L3MBTL1 (0.50) P4HTMBCL2L1MCL1HDAC3HDAC4
SCHEMBL9018147 0.84 RAB9A (0.44) P4HTMHDAC2HDAC8HDAC6

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