SCHEMBL9396137

SCHEMBL9396137

N[C@@H](Cn1ncc(=O)[nH]c1=O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 11/20 1.00
GRIA2 P42262 10/20 1.00
GRIA4 P48058 10/20 1.00
GRIK5 Q16478 10/20 1.00
KMO O15229 1/20 0.47
CYP1A2 P05177 3/20 0.45
KDM4E B2RXH2 2/20 0.45
BLM P54132 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRM5 P41594 1/20 0.45
FOLH1 Q04609 1/20 0.45
GRM1 Q13255 1/20 0.45
GRM3 Q14832 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL9393484 1.00 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5KMO
SCHEMBL9393490 1.00 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5KMO
SCHEMBL9395817 0.85 GRIA1 (0.74) GRIA1GRIA2GRIA4GRIK5KMO
SCHEMBL13227277 0.74 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL9540945 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5KMT2A
SCHEMBL11300643 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL9393535 0.71 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL13227276 0.71 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL9393529 0.71 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL8296645 0.71 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2

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-1994022841-A1 ALKYLAMINO SUBSTITUTED TRIAZINEDIONES, TRIAZINEMONOTHIONES AND TRIAZINEDITHIONES TOCRIS COOKSON LIMITED (GB) 1994-10-13 WO disclosed