SCHEMBL5717063

SCHEMBL5717063

O=C(OS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1CCCCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 4/20 0.46
▸ ENPP1 P22413 3/20 0.46
▸ ENPP2 Q13822 3/20 0.46
▸ LTA4H P09960 1/20 0.40
▸ EPHX2 P34913 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SLC6A9 P48067 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PSEN1 P49768 3/20 0.37
▸ PSEN2 P49810 3/20 0.37

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
SCHEMBL27539865 0.83 KMT2A (0.44) ENPP3ENPP1ENPP2LMNAKMT2A
SCHEMBL9538667 0.82 ENPP3 (0.41) ENPP3ENPP1ENPP2MAPTMEN1
SCHEMBL5717034 0.82 EPHX2 (0.44) ENPP3ENPP1ENPP2LTA4HEPHX2
SCHEMBL3803839 0.79 ENPP3 (0.41) ENPP3ENPP1ENPP2
SCHEMBL21616625 0.79 LTA4H (0.49) ENPP3ENPP1ENPP2LTA4HMAPT
SCHEMBL3060996 0.79 ENPP3 (0.41) ENPP3ENPP1ENPP2
SCHEMBL8301422 0.79 ELANE (0.43) ENPP3ENPP1ENPP2KMT2A
SCHEMBL7404085 0.79 ELANE (0.43) ENPP3ENPP1ENPP2KMT2A
SCHEMBL28074505 0.77 ENPP3 (0.40) ENPP3ENPP1ENPP2MAPTMEN1
SCHEMBL8212865 0.77 DPP4 (0.45) GAAMMP2MMP3MMP9MMP8

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-1664010-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS Vernalis (R&D) Limited (GB) 2006-06-07 — — EP disclosed
WO-2005068448-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-07-28 — — WO disclosed
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