SCHEMBL8928262

SCHEMBL8928262

O=C(O)NC(CO)Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 2/20 0.52
KDM4E B2RXH2 1/20 0.51
ROCK2 O75116 4/20 0.51
ROCK1 Q13464 4/20 0.51
MAPK1 P28482 3/20 0.51
RPS6KA5 O75582 2/20 0.51
RPS6KA4 O75676 2/20 0.51
PRKACA P17612 2/20 0.51
GSK3B P49841 2/20 0.51
PRKX P51817 2/20 0.51
PRKG1 Q13976 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
GSK3A P49840 1/20 0.51
IRAK1 P51617 1/20 0.51
PKN2 Q16513 1/20 0.51
SGK2 Q9HBY8 1/20 0.51
NAPRT Q6XQN6 1/20 0.50
CYP3A4 P08684 3/20 0.49
FDPS P14324 1/20 0.49
TBXAS1 P24557 3/20 0.46

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
SCHEMBL27342817 1.00 ECE1 (0.52) ECE1KDM4EROCK2ROCK1MAPK1
SCHEMBL27503053 0.87 ACACB (0.48) ECE1KDM4EROCK2ROCK1MAPK1
SCHEMBL6192467 0.87 ACACB (0.48) ECE1KDM4EROCK2ROCK1MAPK1
SCHEMBL14114760 0.84 CYP3A4 (0.52) ECE1KDM4EROCK2ROCK1MAPK1
SCHEMBL2973301 0.82 MAPK1 (0.68) KDM4EROCK2ROCK1MAPK1RPS6KA5
SCHEMBL3897966 0.82 MAPK1 (0.68) KDM4EROCK2ROCK1MAPK1RPS6KA5
SCHEMBL3959317 0.82 MAPK1 (0.68) KDM4EROCK2ROCK1MAPK1RPS6KA5
SCHEMBL28938948 0.82 ECE1 (0.47) ECE1KDM4ENAPRTCYP3A4FDPS
SCHEMBL6192681 0.81 ROCK2 (0.59) ECE1ROCK2ROCK1MAPK1RPS6KA5
SCHEMBL27529142 0.81 ALDH1A1 (0.46) ECE1KDM4EROCK2ROCK1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646427-A Inhibitors of akt activity SMITHKLINE BEECHAM CORP US 2010-02-10 CN disclosed
EP-0495269-B1 Thermosetting reactive resin mixture, moulded article and coating made therefrom DAINIPPON INK & CHEMICALS (JP) 1997-03-05 EP disclosed
US-5292833-A Polyepoxide compound, carbamate compound and catalyst DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-03-08 US disclosed
WO-1992012192-A2 THERMOSETTING REACTIVE RESIN MIXTURE, MOULDED ARTICLE AND COATING MADE THEREFROM DAINIPPON INK & CHEMICALS, INC. (JP) 1992-07-23 WO disclosed
EP-0495269-A2 Thermosetting reactive resin mixture, moulded article and coating made therefrom DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-07-22 EP disclosed