SCHEMBL9018068

SCHEMBL9018068

COC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)CCc3ccccc3)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.43
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 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
SCHEMBL9018343 0.93 CA1 (0.43) P4HTMKDM4ELMNAHDAC2HDAC8
SCHEMBL9018356 0.93 ALDH1A1 (0.41) P4HTMOPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9018198 0.92 OPRM1 (0.40) P4HTMKDM4ELMNAHDAC2HDAC8
SCHEMBL9018274 0.91 RAB9A (0.48) P4HTMKDM4ELMNAHDAC2HDAC8
SCHEMBL9018096 0.91 PTPN1 (0.47) P4HTMLMNASMN1; SMN2OPRM1OPRD1
SCHEMBL9018311 0.90 P4HTM (0.42) P4HTMKDM4ELMNAHDAC2HDAC8
SCHEMBL7869478 0.90 KDM4E (0.44) P4HTMKDM4ELMNAHDAC2HDAC8
SCHEMBL9018282 0.89 RAB9A (0.53) P4HTMHDAC2HDAC8HDAC6RAB9A
SCHEMBL7870343 0.88 RAB9A (0.42) P4HTMKDM4ELMNAHDAC2HDAC8
SCHEMBL9018117 0.88 OPRM1 (0.40) P4HTMKDM4ELMNAHDAC2HDAC8

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