SCHEMBL4370152

SCHEMBL4370152

CCOc1c(Nc2cc(C)[nH]n2)c(=O)c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MPI P34949 1/20 0.42
AURKA O14965 7/20 0.41
AURKB Q96GD4 5/20 0.41
DHODH Q02127 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CCNA1 P78396 2/20 0.38
ITK Q08881 1/20 0.36
RET P07949 1/20 0.36
SYK P43405 3/20 0.36

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
SCHEMBL4025790 0.74 GAA (0.57) MAPTGAAPOLBALDH1A1LMNA
SCHEMBL6986797 0.71 TSHR (0.48) MAPTGAAPOLBALDH1A1MEN1
SCHEMBL4366566 0.70 GAA (0.49) MAPTGAAPOLBHTT
SCHEMBL30353174 0.69 MEN1 (0.41) GAAALDH1A1LMNAMPIAURKA
SCHEMBL30353140 0.69 MEN1 (0.40) GAAALDH1A1LMNAMPIAURKA
SCHEMBL4374914 0.69 POLB (0.48) MAPTGAAPOLBALDH1A1MEN1
SCHEMBL7916278 0.68 POLB (0.70) MAPTGAAPOLBALDH1A1AURKB
SCHEMBL18154760 0.68 ITK (0.56) GAAALDH1A1LMNAMPIAURKA
SCHEMBL4023021 0.67 POLB (0.64) MAPTGAAPOLBLMNAAURKB
SCHEMBL1488204 0.66

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-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed