SCHEMBL6978604

SCHEMBL6978604

Cc1nccc(N2CCN(C(=O)N3CCCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)n1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.71
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GBA1 P04062 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6977387 0.96 LSS (0.76) LSSPOLBLMNAALDH1A1GAA
SCHEMBL6977994 0.88 LSS (0.93) LSSALDH1A1L3MBTL1
SCHEMBL6975619 0.85 LSS (0.62) LSSPOLBLMNAALDH1A1HSD17B10
SCHEMBL8310078 0.84 LSS (0.83) LSSPOLBLMNAALDH1A1L3MBTL1
SCHEMBL6977537 0.83 LSS (0.93) LSSLMNAALDH1A1GAAHSD17B10
SCHEMBL6182258 0.83 LSS (1.00) LSSLMNAALDH1A1HSD17B10L3MBTL1
SCHEMBL7658217 0.82 LSS (0.66) LSSALDH1A1GAAHSD17B10L3MBTL1
SCHEMBL6981493 0.82 LSS (0.69) LSSLMNAGBA1MAPTKDM4E
SCHEMBL8310420 0.80 LSS (0.66) LSSLMNAALDH1A1GAAGBA1
SCHEMBL8309729 0.80 LSS (0.89) LSSPOLBLMNAALDH1A1HSD17B10

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-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed