SCHEMBL1978759

SCHEMBL1978759

COc1cccc(CC2(C)CC3(NC(=O)NC3=O)c3cc(Br)ccc3O2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOB P27338 1/20 0.35
MDM2 Q00987 2/20 0.35
CMA1 P23946 1/20 0.34
PTPN1 P18031 1/20 0.34
APP P05067 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34

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
SCHEMBL1982797 0.85 MEN1 (0.39) MEN1KMT2AMAOBMDM2CMA1
SCHEMBL1982412 0.83 BACE1 (0.46) MEN1KMT2AMDM2PTPN1
SCHEMBL1978029 0.82 CYP3A4 (0.37) MEN1KMT2A
SCHEMBL1979002 0.82 AKR1B1 (0.45)
SCHEMBL1977904 0.76 AKR1B1 (0.35)
SCHEMBL1821638 0.75 CTSD (0.47)
SCHEMBL1978508 0.74 MAOB (0.44) MEN1KMT2AMAOBMDM2CMA1
SCHEMBL10576683 0.73 PDE7A (0.44)
SCHEMBL1819232 0.72 MEN1 (0.45) MEN1KMT2A
SCHEMBL1820315 0.72 AKR1B1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed