SCHEMBL4034683

SCHEMBL4034683

Cn1c(-c2occc2/C=C/c2ccccc2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
P2RX3 P56373 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KCNA3 P22001 3/20 0.34
KMT2A Q03164 1/20 0.34
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
APAF1 O14727 1/20 0.32

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
SCHEMBL4031394 0.84 ERCC1 (0.49) NPC1RAB9ASMN1; SMN2P2RX3KDM4E
SCHEMBL4031399 0.84 ERCC1 (0.49) NPC1RAB9ASMN1; SMN2P2RX3KDM4E
SCHEMBL4028795 0.80 ERCC1 (0.39) NPC1RAB9ASMN1; SMN2P2RX3KDM4E
SCHEMBL4032912 0.75 LMNA (0.44) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4024972 0.73 ADORA3 (0.39) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4034538 0.69 ERCC1 (0.35) KDM4ELMNAMAPTMAPK1L3MBTL1
SCHEMBL4032043 0.69 ERCC1 (0.67) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4032344 0.69 COMT (0.42) ALDH1A1LMNAGAAMAPTMAPK1
SCHEMBL4027881 0.66 ERCC1 (0.40) KDM4EALDH1A1HPGDERCC1FEN1
SCHEMBL4027681 0.65 ERCC1 (0.41) NPC1RAB9AALDH1A1POLBMAPT

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-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP claimed