SCHEMBL1979002

SCHEMBL1979002

CC1(Cc2ccc(F)cc2)CC2(NC(=O)NC2=O)c2cc(Br)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.45
AKR1A1 P14550 3/20 0.45
AKR1B10 O60218 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1978781 0.85 AKR1B1 (0.40) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL1981985 0.84 BACE1 (0.40) MAPT
SCHEMBL1978029 0.82 CYP3A4 (0.37) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL1978759 0.82 MEN1 (0.36)
SCHEMBL1821638 0.79 CTSD (0.47) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL1977904 0.76 AKR1B1 (0.35) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL1982373 0.74 AKR1B1 (0.46) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL9260661 0.74 AKR1B1 (0.62) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL14980632 0.74 AKR1B1 (0.39) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL1820315 0.73 AKR1B1 (0.39) AKR1B1AKR1A1AKR1B10MAPT

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