SCHEMBL7016016

SCHEMBL7016016

COc1c(C)cc(N)c(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 2/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
TPMT P51580 1/20 0.38
IMPDH2 P12268 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
G6PD P11413 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 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
SCHEMBL10921308 0.84 CISD2 (0.45) KMT2AMEN1POLBMAPTCYP3A4
SCHEMBL5472015 0.83 CYP3A4 (0.45) KMT2AMEN1POLBTDP1MAPT
SCHEMBL28887578 0.80 HSD17B10 (0.43) KMT2AMEN1POLBTDP1MAPT
SCHEMBL12552999 0.80 CYP3A4 (0.52) KMT2AMEN1POLBTDP1MAPT
SCHEMBL29918082 0.79 KDM4E (0.44) KMT2AMEN1POLBTDP1MAPT
SCHEMBL28812075 0.76 CA12 (0.46) KMT2AMEN1POLBTDP1MAPT
SCHEMBL3008135 0.74 IMPDH2 (0.41) POLBGFERCYP3A4ALDH1A1IMPDH2
SCHEMBL29918124 0.74 ALDH1A1 (0.44) KMT2AMEN1POLBTDP1MAPT
SCHEMBL14511729 0.73 CYP3A4 (0.56) KMT2AMEN1POLBTDP1MAPT
SCHEMBL18786818 0.73 TPMT (0.54) KMT2AMEN1POLBTDP1MAPT

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-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed