SCHEMBL6178702

SCHEMBL6178702

O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1cccs1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.79
TRPA1 O75762 3/20 0.65
PKM P14618 1/20 0.50
HTT P42858 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6178698 1.00 LMNA (0.79) LMNATRPA1PKMHTTGAA
SCHEMBL6177256 0.87 LMNA (0.79) LMNATRPA1GAAL3MBTL1CA1
SCHEMBL6180279 0.87 LMNA (0.79) LMNATRPA1HTTGAACA1
SCHEMBL6177254 0.87 LMNA (0.79) LMNATRPA1GAAL3MBTL1CA1
SCHEMBL6180284 0.87 LMNA (0.79) LMNATRPA1HTTGAACA1
SCHEMBL6178870 0.79 TRPA1 (1.00) LMNATRPA1ALDH1A1MAPTTSHR
SCHEMBL6178865 0.79 TRPA1 (1.00) LMNATRPA1ALDH1A1MAPTTSHR
SCHEMBL6180512 0.79 LMNA (0.65) LMNATRPA1GAAALDH1A1MAPT
SCHEMBL6180337 0.77 TRPA1 (0.73) LMNATRPA1HTTGAAL3MBTL1
SCHEMBL6180330 0.77 TRPA1 (0.73) LMNATRPA1HTTGAAL3MBTL1

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-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 US disclosed