SCHEMBL4026147

SCHEMBL4026147

Cn1c(-c2sccc2CCc2ccccc2)nc(OC(=O)O)c(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 2/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
P2RX3 P56373 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP2 O95551 1/20 0.34
GFER P55789 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 2/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
CASR P41180 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4034580 0.94 LTB4R (0.39) FEN1ERCC1ERCC4
SCHEMBL4029846 0.89 FEN1 (0.36) FEN1ERCC1ERCC4ALDH1A1CYP1A2
SCHEMBL4026142 0.84 FEN1 (0.57) FEN1ERCC1ERCC4P2RX3ALDH1A1
SCHEMBL4027681 0.79 ERCC1 (0.41) FEN1ERCC1ERCC4ALDH1A1PKM
SCHEMBL4029257 0.79 FEN1 (0.44) FEN1ERCC1ERCC4ALDH1A1MAPK1
SCHEMBL4026962 0.79 F2 (0.39) ALDH1A1KDM4E
SCHEMBL4029150 0.78 FEN1 (0.55) FEN1ERCC1ERCC4
SCHEMBL4028795 0.78 ERCC1 (0.39) FEN1ERCC1ERCC4P2RX3ALDH1A1
SCHEMBL4031571 0.78 ERCC1 (0.40) FEN1ERCC1ERCC4ALDH1A1
SCHEMBL4028019 0.77 FEN1 (0.39) FEN1ERCC1ERCC4MAPK1ALOX15

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