SCHEMBL1978049

SCHEMBL1978049

CC1(C)CC(=O)c2cc(Br)ncc2O1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
ALDH1A1 P00352 10/20 0.48
KDM4E B2RXH2 9/20 0.48
MAOB P27338 8/20 0.45
GAA P10253 8/20 0.45
HPGD P15428 6/20 0.45
GLA P06280 5/20 0.45
CASP1 P29466 3/20 0.45
HSD17B10 Q99714 3/20 0.45
CASP7 P55210 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL18572672 0.81 MAPT (0.51) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL1980452 0.75 MAOB (0.43) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL1821389 0.74 MAPT (0.71) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL16334610 0.73 ALDH1A1 (0.53) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL9093546 0.73 ALDH1A1 (0.53) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL12478166 0.72 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL2715253 0.72 ALDH1A1 (0.44) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL12478248 0.72 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL31393622 0.72 ALDH1A1 (0.51) MAPTALDH1A1KDM4EMAOBGAA
SCHEMBL6281474 0.72 ALDH1A1 (0.59) MAPTALDH1A1KDM4EMAOBGAA

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