SCHEMBL6977995

SCHEMBL6977995

CC(C)(C)OC(=O)N1CCN(C(=O)N2CCCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.58
F13A1 P00488 6/20 0.58
TGM1 P22735 3/20 0.57
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50

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
SCHEMBL14490210 0.96 TGM2 (0.59) TGM2F13A1TGM1ALDH1A1
SCHEMBL6977155 0.95 TGM2 (0.62) TGM2F13A1TGM1
SCHEMBL710366 0.92 TGM2 (0.64) TGM2F13A1TGM1
SCHEMBL6972262 0.87 NPC1 (0.56) TGM2F13A1TGM1ALDH1A1
SCHEMBL1955697 0.86 ALDH1A1 (0.62) TGM2F13A1TGM1LMNAPOLB
SCHEMBL12550181 0.85 LMNA (0.60) TGM2F13A1TGM1LMNAPOLB
SCHEMBL1917656 0.85 TGM2 (0.64) TGM2F13A1TGM1POLB
SCHEMBL24693750 0.84 TGM2 (0.56) TGM2F13A1TGM1POLB
SCHEMBL1955143 0.84 TGM2 (0.58) TGM2F13A1TGM1ALDH1A1
SCHEMBL29596865 0.83 TGM2 (0.50) TGM2F13A1TGM1

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