SCHEMBL9160789

SCHEMBL9160789

CCCCCCCN(CCCCCBr)C(=O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
FAAH O00519 6/20 0.43
ICMT O60725 1/20 0.43
ALB P02768 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6754891 0.93 MEN1 (0.51) MEN1KMT2ALMNAMAPTZDHHC2
SCHEMBL9373248 0.87 MEN1 (0.46) MEN1KMT2ALMNAMAPTZDHHC2
SCHEMBL22450141 0.81 MEN1 (0.61) MEN1KMT2ALMNAMAPT
SCHEMBL28298919 0.80 KMT2A (0.58) MEN1KMT2ALMNAMAPT
SCHEMBL7069458 0.79 ATM (0.47) MEN1KMT2ALMNAMAPTZDHHC2
SCHEMBL31504001 0.78 LMNA (0.50) MEN1KMT2ALMNAMAPTZDHHC2
SCHEMBL3483514 0.78 LMNA (0.50) MEN1KMT2ALMNAMAPTZDHHC2
SCHEMBL11252540 0.78 ACHE (0.52) LMNAMAPTZDHHC2FAAH
SCHEMBL14891873 0.78 LMNA (0.50) KMT2ALMNA
SCHEMBL18082510 0.77 MEN1 (0.47) MEN1KMT2ALMNAMAPTFAAH

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5478830-A Pyrazolo pyrimidines; inhibitors of acyl-coenzyme A and cholesterol acyltransferase; antihypercholesterolemic agents THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-26 US disclosed
US-5318984-A Anticholesterol agents which inhibit acetyl coenzyme A transferase THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-06-07 US disclosed
EP-0372445-B1 Imidazoles for the treatment of atherosclerosis DU PONT MERCK PHARMA (US) 1994-03-09 EP disclosed
US-5166214-A Enzyme inhibitors for anticholesterol agents, enzyme inhibitor and cardiovascular disorders DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-11-24 US disclosed
WO-1991018885-A1 IMIDAZOLES FOR THE TREATMENT OF ATHEROSCLEROSIS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-12-12 WO disclosed
EP-0372445-A1 Imidazoles for the treatment of atherosclerosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1990-06-13 EP disclosed