SCHEMBL13708317

SCHEMBL13708317

Cn1nc(I)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIK5 Q16478 1/20 0.41
DAO P14920 1/20 0.38
ATM Q13315 1/20 0.37
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
PMP22 Q01453 1/20 0.32
CRBN Q96SW2 1/20 0.31

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
SCHEMBL10105029 0.74 GRIA1 (0.42) GRIA1GRIA2GRIA4GRIK5DAO
SCHEMBL12603804 0.73 SQOR (0.42) GRIA1GRIA2GRIA4GRIK5DAO
SCHEMBL15563493 0.73 DAO (0.38) GRIA1GRIA2GRIA4GRIK5DAO
SCHEMBL12702610 0.73 DAO (0.38) DAOATMCYP3A4MAPK1PMP22
SCHEMBL16131591 0.73 GRIA1 (0.41) GRIA1GRIA2GRIA4GRIK5DAO
SCHEMBL24419029 0.73 DAO (0.38) GRIA1GRIA2GRIA4GRIK5DAO
SCHEMBL22743704 0.70 ATM (0.46) DAOATMCYP3A4MAPK1PMP22
SCHEMBL21840374 0.70 DAO (0.35) DAOATMCYP3A4MAPK1PMP22
SCHEMBL22743701 0.69 ATM (0.35) DAOATM
SCHEMBL22743552 0.68 DAO (0.34) DAOATMCYP3A4MAPK1PMP22

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
WO-2009115927-A2 NUCLEOTIDE ANALOGUES WITH QUATERNARY CARBON STEREOGENIC CENTERS AND METHODS OF USE INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2009-09-24 WO disclosed