SCHEMBL6975703

SCHEMBL6975703

O=C(N1CCN(c2cc(Cl)ncn2)CC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 3/20 0.53
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
GPR183 P32249 3/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NOD2 Q9HC29 1/20 0.44
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 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
SCHEMBL6967361 0.87 LSS (0.53) LSSLMNAGPR183MAPTKDM4E
SCHEMBL6979430 0.87 LSS (0.72) LSSL3MBTL1PKMALDH1A1
SCHEMBL6975446 0.86 KDM4E (0.53) LMNAPOLBL3MBTL1MAPTKDM4E
SCHEMBL6977047 0.84 LSS (0.51) LSSLMNAPOLBL3MBTL1GPR183
SCHEMBL7448250 0.76 LSS (0.57) LSSLMNAPOLBL3MBTL1GPR183
SCHEMBL6977387 0.76 LSS (0.76) LSSLMNAPOLBL3MBTL1GPR183
SCHEMBL7446074 0.75 LSS (0.73) LSSLMNAPOLBL3MBTL1GPR183
SCHEMBL7654951 0.74 LSS (0.72) LSSLMNAL3MBTL1MAPTPKM
SCHEMBL6978502 0.74 LSS (0.52) LSSLMNAL3MBTL1MAPTKDM4E
SCHEMBL6970581 0.74 LSS (0.56) LSSLMNAPOLBL3MBTL1MAPT

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