SCHEMBL12835979

SCHEMBL12835979

N#Cc1c(Br)sc2c1CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 2/20 0.56
ALDH1A1 P00352 8/20 0.55
MAPT P10636 5/20 0.55
GAA P10253 3/20 0.55
ALOX15 P16050 2/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ADRA2A P08913 3/20 0.50
ADRA2B P18089 3/20 0.50
ADRA2C P18825 3/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 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
SCHEMBL1514345 0.96 BPTF (0.61) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL12835960 0.94 ALDH1A1 (0.62) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL13569708 0.78 BPTF (0.58) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL1514467 0.76 BPTF (0.92) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL18830905 0.76 BPTF (0.61) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL18830918 0.74 ALDH1A1 (0.62) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL18506968 0.74 PNMT (0.39) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL11919882 0.73 BPTF (0.63) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL620749 0.72 BPTF (1.00) BPTFALDH1A1MAPTGAAALOX15
SCHEMBL1514227 0.72 BPTF (0.61) BPTFALDH1A1MAPTGAAALOX15

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-2011025799-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2011-03-03 WO disclosed