SCHEMBL6977387

SCHEMBL6977387

Cc1nccc(N2CCN(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)n1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.76
GBA1 P04062 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GPR183 P32249 2/20 0.46
GAA P10253 2/20 0.44
APAF1 O14727 1/20 0.44
HPGD P15428 1/20 0.44
NOD2 Q9HC29 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6978604 0.96 LSS (0.71) LSSGBA1SMN1; SMN2KDM4EMEN1
SCHEMBL6975619 0.89 LSS (0.62) LSSGBA1KDM4ELMNAPOLB
SCHEMBL6182258 0.87 LSS (1.00) LSSLMNAALDH1A1HSD17B10L3MBTL1
SCHEMBL6977537 0.87 LSS (0.93) LSSSMN1; SMN2KDM4EGAALMNA
SCHEMBL7658217 0.86 LSS (0.66) LSSGBA1SMN1; SMN2KDM4EMEN1
SCHEMBL6981493 0.86 LSS (0.69) LSSGBA1SMN1; SMN2KDM4EMEN1
SCHEMBL6977994 0.83 LSS (0.93) LSSHPGDALDH1A1L3MBTL1
SCHEMBL8310420 0.83 LSS (0.66) LSSGBA1SMN1; SMN2GPR183GAA
SCHEMBL8309729 0.83 LSS (0.89) LSSLMNAPOLBALDH1A1HSD17B10
SCHEMBL6980618 0.83 LSS (0.65) LSSGBA1SMN1; SMN2KDM4EMEN1

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