SCHEMBL6636874

SCHEMBL6636874

COC(=O)c1cnccc1Cn1c(C(=O)c2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PARP1 P09874 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6640589 0.89 TDP1 (0.34) SMN1; SMN2LMNAMEN1KMT2ATDP1
SCHEMBL6640101 0.86 GRIN1 (0.33) SMN1; SMN2LMNATLR7MEN1KMT2A
SCHEMBL6640392 0.84 ADRA1D (0.33) SMN1; SMN2LMNATDP1KDM4EALDH1A1
SCHEMBL6637359 0.83 HSD17B10 (0.34) MEN1KMT2ATDP1KDM4EALDH1A1
SCHEMBL6637345 0.81 GAA (0.39) TLR7MEN1KMT2ATDP1KDM4E
SCHEMBL6087076 0.81 GRIN1 (0.43) TLR7KDM4EALDH1A1HPGDMAPK1
SCHEMBL6087200 0.80 KMT2A (0.34) SMN1; SMN2LMNAMEN1KMT2ATDP1
SCHEMBL10264966 0.79 KDM4E (0.32) KDM4EALDH1A1HPGDMAPT
SCHEMBL14292833 0.78 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL14293251 0.78 GRIN1 (0.33) KDM4EALDH1A1HPGD

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
EP-1159271-B1 ANTIVIRAL 2,4-PYRIMIDINEDIONE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2004-08-25 EP disclosed