SCHEMBL6181000

SCHEMBL6181000

N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ccncc4)CC3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.76
F10 P00742 1/20 0.65
TNF P01375 1/20 0.55
NOD1 Q9Y239 1/20 0.55
CHRM1 P11229 5/20 0.54
CNR1 P21554 1/20 0.52
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
MMP2 P08253 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL6184509 0.86 LSS (0.77) LSSF10CHRM1CNR1L3MBTL1
SCHEMBL6180061 0.86 LSS (0.80) LSSF10CHRM1CNR1SMN1; SMN2
SCHEMBL7401658 0.86 LSS (1.00) LSSF10CHRM1CNR1MAPT
SCHEMBL1387298 0.84 LSS (0.88) LSSF10CHRM1CNR1SMN1; SMN2
SCHEMBL7956653 0.84 GAA (0.67) LSSTNFNOD1MAPTMAPK1
SCHEMBL6786388 0.83 LSS (0.76) LSSF10CHRM1MAPTMAPK1
SCHEMBL1387276 0.83 LSS (0.94) LSSF10CHRM1CNR1MAPT
SCHEMBL1387325 0.83 F10 (0.77) LSSF10CHRM1CNR1MAPT
SCHEMBL6791070 0.82 LSS (0.77) LSSF10CHRM1CNR1MAPT
SCHEMBL1387210 0.80 F10 (0.82) LSSF10CHRM1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 WO disclosed