SCHEMBL12380902

SCHEMBL12380902

Cc1cn(C(=O)CC(N)C(N)=O)c(=O)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.39
GRIA2 P42262 5/20 0.39
GRIA4 P48058 5/20 0.39
GRIK5 Q16478 5/20 0.39
SQOR Q9Y6N5 1/20 0.37
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 2/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRIA3 P42263 1/20 0.36
TYMP P19971 2/20 0.36
TK1 P04183 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL12380900 0.89 GRIA1 (0.48) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL12113227 0.83 GRIA1 (0.51) GRIA1GRIA2GRIA4GRIK5SQOR
SCHEMBL10950422 0.72 MAPK1 (0.43) MAPK1BLMTYMPTK1HPGD
SCHEMBL12113221 0.71 GRIA1 (0.62) GRIA1GRIA2GRIA4GRIK5SQOR
SCHEMBL15538150 0.71 HPGD (0.45) MAPK1BLMTYMPTK1HPGD
SCHEMBL6713750 0.71 MAPK1 (0.42) MAPK1BLMTYMPTK1HPGD
SCHEMBL12113262 0.70 GRIA1 (0.50) GRIA1GRIA2GRIA4GRIK5SQOR
SCHEMBL27407778 0.70 MAPK1 (0.41) MAPK1BLMTYMPTK1HPGD
SCHEMBL29254559 0.70 ALDH1A1 (0.38) MAPK1BLMTYMPTK1HPGD
SCHEMBL12113265 0.69 GRIA1 (0.49) GRIA1GRIA2GRIA4GRIK5SQOR

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-7989188-B2 Conjugates for cancer therapy and diagnosis BIOSIGHT LTD. (IL) 2011-08-02 US disclosed