SCHEMBL6945244

SCHEMBL6945244

O=C(C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)N1CCC(c2ccncc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.70
TP53 P04637 3/20 0.60
NPC1 O15118 2/20 0.53
RAB9A P51151 1/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 2/20 0.52
ALDH1A1 P00352 1/20 0.52
USP5 P45974 1/20 0.52

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
SCHEMBL20772177 0.88 TP53 (0.75) LSSTP53RAB9ATSHRUSP5
SCHEMBL7401658 0.82 LSS (1.00) LSS
SCHEMBL1387276 0.80 LSS (0.94) LSSTSHRALDH1A1
SCHEMBL7662833 0.80 TP53 (0.62) LSSTP53USP5
SCHEMBL5311528 0.79 CNR1 (0.74) LSSALDH1A1
SCHEMBL6184180 0.79 LSS (0.92) LSSNPC1RAB9ATSHRHPGD
SCHEMBL6981358 0.79 LSS (0.61) LSSNPC1RAB9ATSHRHPGD
SCHEMBL7660042 0.78 LSS (0.77) LSSALDH1A1
SCHEMBL7336119 0.77 LSS (1.00) LSSTSHRALDH1A1
SCHEMBL7442077 0.76 LSS (0.73) LSSHPGDALDH1A1

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-0966462-B1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ASTRAZENECA AB (SE) 2003-06-11 EP disclosed
US-6391880-B1 ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 2002-05-21 US disclosed
EP-0966462-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
WO-1998035959-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1998-08-20 WO disclosed