SCHEMBL10652452

SCHEMBL10652452

CCOc1c2c(c([N+](=O)[O-])c(OCC)c1OCC)C(=O)OC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
NUAK1 O60285 1/20 0.33
IGF1R P08069 1/20 0.33
MET P08581 1/20 0.33
PIM1 P11309 1/20 0.33
SRC P12931 1/20 0.33
AXL P30530 1/20 0.33
AKT1 P31749 1/20 0.33
KDR P35968 1/20 0.33
NEK2 P51955 1/20 0.33
PLK1 P53350 1/20 0.33
PTK2 Q05397 1/20 0.33
PKN1 Q16512 1/20 0.33

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
SCHEMBL30130389 0.76 IMPDH2 (0.39) IMPDH2NUAK1IGF1RMETPIM1
SCHEMBL30804568 0.72 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1609100 0.71 IMPDH1 (0.45) IMPDH2NUAK1IGF1RMETPIM1
SCHEMBL1502252 0.68 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1608266 0.67 NUAK1 (0.43) IMPDH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28045740 0.65 GRIN2D (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27609737 0.62 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29242781 0.61 MAPT (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9694476 0.60 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3476285 0.59 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60226811-A None JP disclosed
JP-61151184-A None JP disclosed
EP-0161499-B1 PROCESS FOR PREPARATION OF AMINOPHTHALIDEISOQUINOLINES MITSUBISHI KASEI CORPORATION (JP) 1988-07-27 EP disclosed
US-4684732-A Process for preparation of phthalide derivatives MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-08-04 US disclosed
EP-0201359-A2 Use of phthalide isoquinoline derivatives for treatments inhibiting the formation of lipid peroxides MITSUBISHI KASEI CORPORATION (JP) 1986-11-12 EP disclosed
JP-S61151184-A PRODUCTION OF NITROPHTHALIDE MITSUBISHI CHEM IND LTD 1986-07-09 JP disclosed
EP-0161499-A1 Process for preparation of aminophthalideisoquinolines MITSUBISHI KASEI CORPORATION (JP) 1985-11-21 EP disclosed
JP-S60226811-A ANTIARTERIOSCLEROTIC MITSUBISHI CHEM IND LTD 1985-11-12 JP disclosed
US-4302458-A ANTIALLERGENS LABOREC LABORATOIRE DE RECHERCHES BIOLOGIQUES (FR) 1981-11-24 US disclosed