SCHEMBL5488840

SCHEMBL5488840

O=C(O)[C@H]1C[C@H]1N(c1ccccc1)S(=O)(=O)C=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 6/20 0.41
MAOB P27338 2/20 0.40
P4HB P07237 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FBP1 P09467 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36

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
SCHEMBL5486740 0.85 LMNA (0.39) LMNAHSP90AA1KMT2A
SCHEMBL8002290 0.72 MAOB (0.47) PTGES2MAOBMEN1MAPTKMT2A
Bicarbonate SCHEMBL2766521 0.67 PTGES2 (0.48) PTGES2MAOBMEN1LMNAHSP90AA1
SCHEMBL7998811 0.66 LMNA (0.43) PTGES2P4HBLMNAMAPTCA1
SCHEMBL3777684 0.66 FBP1 (0.54) PTGES2MAOBP4HBMEN1LMNA
SCHEMBL3777681 0.66 FBP1 (0.54) PTGES2MAOBP4HBMEN1LMNA
SCHEMBL1331250 0.66 P4HB (0.62) MAOBP4HBMEN1LMNAHSP90AA1
SCHEMBL1331248 0.66 P4HB (0.62) MAOBP4HBMEN1LMNAHSP90AA1
SCHEMBL30932120 0.66 P4HB (0.62) MAOBP4HBMEN1LMNAHSP90AA1
SCHEMBL5496405 0.65 NFE2L2 (0.73) MAOBP4HBMEN1LMNAHSP90AA1

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
JP-2007516982-A 2007-06-28 JP claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP claimed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO claimed
EP-1694410-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2006-08-30 EP disclosed
WO-2005058884-A2 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-06-30 WO disclosed