SCHEMBL4058098

SCHEMBL4058098

CC(C)(C)NS(=O)(=O)c1c(F)cccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 16/20 0.47
FEN1 P39748 16/20 0.47
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PARG Q86W56 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8878904 0.84 ALOX5AP (0.45) ALOX5APFEN1
SCHEMBL24429357 0.84 MAPT (0.50) ALOX5APFEN1MAPTNPSR1PARG
SCHEMBL15924550 0.83 PKM (0.43) ALOX5APFEN1LMNASMN1; SMN2
SCHEMBL7404601 0.82 NSD2 (0.51) ALOX5APFEN1MAPTNPSR1PARG
SCHEMBL10730171 0.82 PARG (0.43) ALOX5APFEN1MAPTNPSR1PARG
SCHEMBL10571163 0.79 PARG (0.41) ALOX5APFEN1MAPTNPSR1PARG
SCHEMBL7554444 0.78 ALOX5AP (0.48) ALOX5APFEN1MAPTNPSR1PARG
SCHEMBL1968159 0.77 ALOX5AP (0.59) ALOX5APFEN1PARG
SCHEMBL7411585 0.77 PTGS2 (0.52) HPGD
SCHEMBL3767355 0.76 MAPT (0.44) ALOX5APFEN1MAPTNPSR1PARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1824826-A4 ARYL SULFONIC PYRIDOXINES AS ANTIPLATELET AGENTS MEDICURE INT INC (BB) 2009-06-03 EP disclosed
EP-1824826-A1 ARYL SULFONIC PYRIDOXINES AS ANTIPLATELET AGENTS Medicure International Inc. (BB) 2007-08-29 EP disclosed
WO-2006045204-A1 ARYL SULFONIC PYRIDOXINES AS ANTIPLATELET AGENTS MEDICURE INTERNATIONAL INC. (CA) 2006-05-04 WO disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 WO disclosed