SCHEMBL13646996

SCHEMBL13646996

COC(=O)c1nc(-c2sccc2[N+](=O)[O-])nc(O)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
SLC10A6 Q3KNW5 1/20 0.38
ERN1 O75460 2/20 0.37
VCAM1 P19320 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PTGS1 P23219 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.35
USP10 Q14694 1/20 0.35
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4034581 0.82 ALDH1A1 (0.35) ALDH1A1SLC10A6VCAM1MAPTNPC1
SCHEMBL3840101 0.79 ERCC1 (0.39) ALDH1A1ERCC1FEN1ERCC4ERN1
SCHEMBL4033473 0.78 ERCC1 (0.60) ERCC1FEN1ERCC4
SCHEMBL13646995 0.78 KMT2A (0.45) ALDH1A1ERCC1FEN1ERCC4MAPT
SCHEMBL4028581 0.77 ERCC1 (0.44) ALDH1A1ERCC1FEN1ERCC4SLC10A6
SCHEMBL13647162 0.73 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AHPGD
SCHEMBL3833902 0.73 ERCC1 (0.60) ALDH1A1ERCC1FEN1ERCC4MAPT
SCHEMBL1848834 0.70 ALDH1A1 (0.60) ALDH1A1SLC10A6MAPTNPC1RAB9A
SCHEMBL13647186 0.69 GAA (0.42) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL23467921 0.69 ERCC1 (0.56) ALDH1A1ERCC1FEN1ERCC4MAPT

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-1309566-B1 DIHYDROXYPYRIMIDINE CARBOXYLIC ACIDS AS VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-10-07 EP disclosed