SCHEMBL5310732

SCHEMBL5310732

O=C1COc2cnc(C(=O)O)cc2N1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
ALDH1A1 P00352 6/20 0.46
MAPT P10636 5/20 0.46
PKM P14618 1/20 0.46
MMP12 P39900 1/20 0.45
MGLL Q99685 1/20 0.45
KMT2A Q03164 2/20 0.44
NR3C2 P08235 2/20 0.42
LMNA P02545 2/20 0.42
PARP1 P09874 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL1335073 0.76 MMP12 (0.49) ALDH1A1MAPTPKMMMP12MGLL
SCHEMBL14358971 0.76 MMP12 (0.49) GAAALDH1A1MAPTPKMMMP12
SCHEMBL12002280 0.76 MMP12 (0.57) ALDH1A1MAPTMMP12KMT2ANR3C2
SCHEMBL29879244 0.76 MMP12 (0.49) GAAALDH1A1MAPTPKMMMP12
SCHEMBL3579328 0.76 NR3C2 (0.46) GAAALDH1A1MAPTPKMMMP12
SCHEMBL2797549 0.74 MMP12 (0.46) GAAALDH1A1MAPTPKMMMP12
SCHEMBL24307579 0.74 ASPH (0.34) KMT2A
SCHEMBL30104082 0.73 SMYD3 (0.44) CYP11B1CYP11B2
SCHEMBL18237508 0.73 MMP12 (0.49) ALDH1A1MAPTMMP12KMT2ANR3C2
SCHEMBL532793 0.72 GAA (0.71) GAAALDH1A1MAPTPKMMMP12

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-2007016610-A2 ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-02-08 WO disclosed