SCHEMBL7658217

SCHEMBL7658217

Cc1nccc(N2CCN(C(=O)C3(C)CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.66
GBA1 P04062 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR183 P32249 2/20 0.39
MAPT P10636 1/20 0.39
ADRB2 P07550 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
SCHEMBL6981493 0.96 LSS (0.69) LSSGBA1SMN1; SMN2KDM4EMEN1
SCHEMBL6977387 0.86 LSS (0.76) LSSGBA1SMN1; SMN2KDM4EMEN1
SCHEMBL6979382 0.85 LSS (0.48) LSSGBA1KDM4EMEN1KMT2A
SCHEMBL8310420 0.84 LSS (0.66) LSSGBA1SMN1; SMN2ALDH1A1GAA
SCHEMBL6969184 0.84 LSS (0.54) LSSGBA1ALDH1A1GAAGPR183
SCHEMBL6980618 0.83 LSS (0.65) LSSGBA1SMN1; SMN2KDM4EMEN1
SCHEMBL6978604 0.82 LSS (0.71) LSSGBA1SMN1; SMN2KDM4EMEN1
SCHEMBL6977537 0.82 LSS (0.93) LSSSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL6981290 0.82 LSS (0.67) LSSSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL6182258 0.80 LSS (1.00) LSSALDH1A1HSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335341-B1 ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 2002-01-01 US disclosed
EP-1000057-A1 PYRIDYL- AND PYRIMIDYL-HETEROCYCLIC COMPOUNDS INHIBITING OXIDO SQUALENE-CYCLASE AstraZeneca UK Limited (GB) 2000-05-17 EP disclosed
WO-1999006395-A1 PYRIDYL- AND PYRIMIDYL-HETEROCYCLIC COMPOUNDS INHIBITING OXIDO SQUALENE-CYCLASE ZENECA LIMITED (GB) 1999-02-11 WO disclosed