SCHEMBL15840964

SCHEMBL15840964

Bc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 5/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 5/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
PMP22 Q01453 1/20 0.50
HPGD P15428 3/20 0.49
TSHR P16473 2/20 0.49
CYP2C9 P11712 1/20 0.49
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DCTPP1 Q9H773 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6876786 0.79 GAA (0.58) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL25211939 0.78 GAA (0.57) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL10309075 0.78 GAA (0.57) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL6187607 0.78 MAPK1 (0.64) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL8658204 0.76 MAPK1 (0.62) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL14479261 0.76 ALDH1A1 (0.49) ALDH1A1NPSR1MAPK1HSD17B10HPGD
SCHEMBL19976357 0.76 ALDH1A1 (0.57) GAAALDH1A1NPSR1MAPK1HSD17B10
SCHEMBL15330130 0.75 GAA (0.54) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL21602433 0.75 L3MBTL1 (0.71) GAAL3MBTL1ALDH1A1NPSR1MAPK1
SCHEMBL6948261 0.75 HSD17B10 (0.55) GAAL3MBTL1ALDH1A1NPSR1MAPK1

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-2014097314-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2014-06-26 WO disclosed