SCHEMBL9727312

SCHEMBL9727312

O=C1CCCN1S(=O)(=O)c1ccccc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
NSD2 O96028 2/20 0.40
GAA P10253 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
GALK1 P51570 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
SCHEMBL9727352 0.84 HTR6 (0.55)
SCHEMBL9727320 0.76 PKM (0.51) KMT2AMEN1MAPTL3MBTL1TP53
SCHEMBL30564805 0.76 MAPT (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6867989 0.73 MAPT (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7011722 0.73 MAPT (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL2968121 0.73 L3MBTL1 (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL25284343 0.70 MAPT (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL8232292 0.70 MAPT (0.47) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7380549 0.70 PKM (0.62) KMT2AMEN1MAPTL3MBTL1TP53
SCHEMBL9727395 0.69 KMT2A (0.42) KMT2AMEN1RAB9ATP53SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5164514-A Antispasmodics ROUSSEL UCLAF (FR) 1992-11-17 US disclosed
US-5081130-A Antispasmodic agents ROUSSEL UCLAF (FR) 1992-01-14 US disclosed
EP-0335758-A2 Derivatives of 1-arylsulfonyl-2-pyrolidinone, process for their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1989-10-04 EP disclosed