SCHEMBL6180512

SCHEMBL6180512

Cc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TRPA1 O75762 2/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL6177254 0.83 LMNA (0.79) LMNAALDH1A1NPC1RAB9ATRPA1
SCHEMBL6177256 0.83 LMNA (0.79) LMNAALDH1A1NPC1RAB9ATRPA1
SCHEMBL6178979 0.81 PSEN1 (0.57) LMNAALDH1A1TRPA1GAAPOLB
SCHEMBL6180434 0.80 TRPA1 (0.47) LMNATRPA1GAA
SCHEMBL3367330 0.80 SMN1; SMN2 (0.49) LMNAALDH1A1NPC1RAB9AGAA
SCHEMBL6179184 0.79 TRPA1 (0.57) LMNATRPA1GAAMAPK1KDM4E
SCHEMBL6178702 0.79 LMNA (0.79) LMNAALDH1A1TRPA1GAAMEN1
SCHEMBL6178698 0.79 LMNA (0.79) LMNAALDH1A1TRPA1GAAMEN1
SCHEMBL6180284 0.79 LMNA (0.79) LMNAALDH1A1TRPA1GAAKDM4E
SCHEMBL6180279 0.79 LMNA (0.79) LMNAALDH1A1TRPA1GAAKDM4E

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
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 claimed