SCHEMBL11564804

SCHEMBL11564804

CC(=NNC(=O)O)c1nc(-c2ccccc2)[nH]c1C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 9/20 0.64
SLC9A1 P19634 4/20 0.56
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CYP2C19 P33261 1/20 0.47
ERCC1 P07992 2/20 0.45
FEN1 P39748 2/20 0.45
ERCC4 Q92889 2/20 0.45
RNASEH1 O60930 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL11564801 1.00 PIN1 (0.64) PIN1SLC9A1MAPTCYP1A2MAPK1
SCHEMBL11308278 0.86 PIN1 (0.50) PIN1SLC9A1MAPTCYP1A2MAPK1
SCHEMBL11308255 0.86 PIN1 (0.50) PIN1SLC9A1MAPTCYP1A2MAPK1
SCHEMBL5918226 0.81 PIN1 (0.78) PIN1SLC9A1MAPTCYP1A2MAPK1
SCHEMBL11564100 0.79 PIN1 (0.81) PIN1SLC9A1MAPTCYP1A2MAPK1
SCHEMBL316552 0.79 PIN1 (1.00) PIN1SLC9A1MAPTCYP1A2MAPK1
SCHEMBL10938390 0.78 NPY5R (0.50) PIN1SLC9A1NPY5R
SCHEMBL10938394 0.78 NPY5R (0.50) PIN1SLC9A1NPY5R
SCHEMBL11565883 0.76 ERCC1 (0.46) PIN1SLC9A1MAPTCYP1A2MAPK1
SCHEMBL11560619 0.76 ERCC1 (0.46) PIN1SLC9A1MAPTCYP1A2MAPK1

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