SCHEMBL6948417

SCHEMBL6948417

CCOC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.81
LMNA P02545 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
KMT2A Q03164 4/20 0.77
MEN1 O00255 2/20 0.77
HTT P42858 2/20 0.76
PKM P14618 1/20 0.76
GAA P10253 1/20 0.70
POLB P06746 1/20 0.65
RAB9A P51151 1/20 0.65
KDM4E B2RXH2 1/20 0.64
VCAM1 P19320 1/20 0.62

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
SCHEMBL2476165 0.90 ALDH1A1 (1.00) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL6237506 0.87 ALDH1A1 (0.81) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL5251827 0.87 ALDH1A1 (0.81) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL3339720 0.87 KMT2A (1.00) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL7510989 0.86 KMT2A (0.82) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL24071842 0.85 RAB9A (0.84) ALDH1A1KMT2AGAARAB9A
SCHEMBL4714672 0.85 LMNA (0.82) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL4710924 0.84 ALDH1A1 (0.76) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL24072635 0.84 RAB9A (0.76) ALDH1A1LMNAL3MBTL1KMT2AMEN1
SCHEMBL18065567 0.82 KMT2A (0.57) ALDH1A1LMNAL3MBTL1KMT2AMEN1

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 8 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
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6391880-B1 ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 2002-05-21 US 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-0966462-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1999-12-29 EP disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
WO-1998035959-A1 HETEROCYCLIC COMPOUNDS USEFUL AS OXIDO-SQUALENE CYCLASE INHIBITORS ZENECA LIMITED (GB) 1998-08-20 WO disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed