SCHEMBL5282402

SCHEMBL5282402

NC(Cn1c(=O)cc[nH]c1=O)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.51
GRIK1 P39086 1/20 0.51
GRIA2 P42262 3/20 0.50
GRIA4 P48058 3/20 0.50
GRIA3 P42263 2/20 0.50
GRIK5 Q16478 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GRM5 P41594 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
FOLH1 Q04609 1/20 0.44
GRM1 Q13255 1/20 0.44
GRM3 Q14832 1/20 0.44

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
SCHEMBL154274 0.84 GRM5 (0.47) GRIA1GRIK1GRIA2GRIA4GRIA3
SCHEMBL6537411 0.81 KMO (0.36) GRIA1GRIK1GRIA2GRIA4GRIA3
SCHEMBL107537 0.81 GRIA1 (0.35) GRIA1GRIK1GRIA2GRIA4GRIA3
SCHEMBL16247195 0.80 APAF1 (0.46) GRIA1GRIK1KDM4EALDH1A1CYP1A2
SCHEMBL667079 0.79 ALDH1A1 (0.33) GRIA1GRIK1ALDH1A1
SCHEMBL2899641 0.75 APEX1 (0.48) GRIA1GRIA2GRIA4GRIA3KDM4E
SCHEMBL28861793 0.75 TSHR (0.43) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL26779833 0.75 CDK4 (0.39) ALDH1A1
SCHEMBL26779812 0.75 CDK4 (0.39) ALDH1A1
SCHEMBL28838403 0.72 GRM5 (0.37) GRIA1GRIK1GRIA2GRIA4GRIA3

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-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed