SCHEMBL1978797

SCHEMBL1978797

CN1C(=O)NC2(CCOc3ccc(Br)cc32)C1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.46
AKR1B1 P15121 2/20 0.43
AKR1B10 O60218 1/20 0.43
MAPT P10636 1/20 0.43
AKR1A1 P14550 1/20 0.43

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
SCHEMBL1823332 0.81 KMT2A (0.55) MAPT
SCHEMBL449103 0.77 AKR1B1 (0.50) BACE1AKR1B1
SCHEMBL445231 0.77 BACE1 (0.49) BACE1AKR1B1
SCHEMBL29134774 0.77 BACE1 (0.44) BACE1AKR1B1MAPT
SCHEMBL1982939 0.77 AKR1B10 (0.71) AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL12592081 0.76 BACE1 (0.61) BACE1
SCHEMBL24699359 0.76 BACE1 (0.48) BACE1AKR1B1MAPT
SCHEMBL30016504 0.76 BACE1 (0.48) BACE1AKR1B1MAPT
SCHEMBL10787723 0.73 ALDH1A1 (0.41) MAPT
SCHEMBL1981628 0.73 BACE1 (0.68) BACE1

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