SCHEMBL11565883

SCHEMBL11565883

COC(=O)N/N=C(/C)c1nc(-c2ccccc2)[nH]c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.46
FEN1 P39748 2/20 0.46
ERCC4 Q92889 2/20 0.46
PIN1 Q13526 6/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
SLC9A1 P19634 1/20 0.40
RNASEH1 O60930 1/20 0.39
MAPT P10636 3/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.38
RAF1 P04049 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL11560619 1.00 ERCC1 (0.46) ERCC1FEN1ERCC4PIN1CYP1A2
SCHEMBL11308255 0.89 PIN1 (0.50) ERCC1FEN1ERCC4PIN1CYP1A2
SCHEMBL11308278 0.89 PIN1 (0.50) ERCC1FEN1ERCC4PIN1CYP1A2
SCHEMBL11332422 0.84 PIN1 (0.43) ERCC1FEN1ERCC4PIN1CYP1A2
SCHEMBL11564801 0.76 PIN1 (0.64) ERCC1FEN1ERCC4PIN1CYP1A2
SCHEMBL11564804 0.76 PIN1 (0.64) ERCC1FEN1ERCC4PIN1CYP1A2
SCHEMBL11559629 0.75 ADORA3 (0.40) ERCC1FEN1ERCC4MAPTNPSR1
SCHEMBL11559633 0.75 ADORA3 (0.40) ERCC1FEN1ERCC4MAPTNPSR1
SCHEMBL12186261 0.69 MAPT (0.70) CYP1A2CYP2C19MAPTNPSR1KDM4E
SCHEMBL28582957 0.69 ERCC1 (0.68) ERCC1FEN1ERCC4PIN1CYP1A2

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
US-4168964-A HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-09-25 US disclosed