SCHEMBL7929672

SCHEMBL7929672

C[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SCN9A Q15858 6/20 0.32
SCN5A Q14524 2/20 0.32
LTC4S Q16873 1/20 0.32
CLK1 P49759 1/20 0.31
GRM1 Q13255 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
AURKA O14965 1/20 0.30
TPX2 Q9ULW0 1/20 0.30

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
SCHEMBL883187 0.78 NR1H4 (0.34) SCN9ASCN5ALTC4S
SCHEMBL13559993 0.77 SCN9A (0.31) SCN9A
SCHEMBL1433015 0.77 SCN9A (0.31) SCN9A
Hydrochloric Acid SCHEMBL1071386 0.77 NR1H4 (0.34) SCN9ASCN5ALTC4S
Hydrochloric Acid SCHEMBL2054323 0.76 SCN9A (0.30) SCN9A
SCHEMBL8206048 0.75
SCHEMBL13392664 0.75 CA1 (0.34) MAPTHPGDSCN9ASCN5ALTC4S
SCHEMBL10093258 0.74 CA1 (0.31) CA1CA2
SCHEMBL668904 0.74 KMT2A (0.31) KMT2ALTC4S
SCHEMBL883057 0.74 KMT2A (0.31) KMT2ALTC4S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed