SCHEMBL9018032

SCHEMBL9018032

O=C(OCc1ccccc1)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCCCc3ccccc3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
BCL2L1 Q07817 5/20 0.46
MCL1 Q07820 5/20 0.46
P4HTM Q9NXG6 3/20 0.44
MLYCD O95822 1/20 0.44
PTAFR P25105 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 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
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL9018417 0.97 NPC1 (0.46) HSP90AA1BCL2L1MCL1P4HTMMLYCD
SCHEMBL9018104 0.92 BCL2L1 (0.48) BCL2L1MCL1P4HTMNPC1RAB9A
SCHEMBL9018225 0.91 HSP90AA1 (0.47) HSP90AA1P4HTMMLYCDPTAFRNPC1
SCHEMBL9018204 0.89 NPC1 (0.46) P4HTMNPC1RAB9ANAMPTSMN1; SMN2
SCHEMBL9018444 0.89 SCN3A (0.50) BCL2L1MCL1P4HTMNAMPTEPHX2
SCHEMBL9018065 0.89 BCL2L1 (0.54) BCL2L1MCL1NPC1RAB9ANAMPT
SCHEMBL9018240 0.89 BCL2L1 (0.52) BCL2L1MCL1P4HTMNPC1RAB9A
SCHEMBL9018412 0.88 OPRM1 (0.48) BCL2L1MCL1P4HTM
SCHEMBL9018179 0.88 NPC1 (0.49) HSP90AA1P4HTMMLYCDNPC1RAB9A
SCHEMBL9018206 0.88 NPC1 (0.45) HSP90AA1P4HTMMLYCDPTAFRNPC1

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