SCHEMBL8743232

SCHEMBL8743232

C=CC(=O)N(C(N)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.45
NPSR1 Q6W5P4 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.38
TGM2 P21980 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
PARP1 P09874 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BCL2A1 Q16548 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL17591554 0.88 AKT1 (0.52) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL28299968 0.85 MAPK1 (0.42) AKT1ALDH1A1HTTPOLBTSHR
SCHEMBL8743210 0.84 AKT1 (0.48) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL764342 0.81 NPSR1 (0.50) NPSR1ALDH1A1HTTPOLBTSHR
SCHEMBL11654891 0.79 AKT1 (0.53) AKT1NPSR1TRPM8ALDH1A1TSHR
SCHEMBL1409829 0.77 NPSR1 (0.46) NPSR1ALDH1A1HTTPOLBTSHR
SCHEMBL7864460 0.76 NPSR1 (0.46) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL28162843 0.76 AKT1 (0.48) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL1629579 0.75 TRPM8 (0.57) AKT1NPSR1TRPM8TGM2ALDH1A1
SCHEMBL8667127 0.74 AKT1 (0.36) AKT1NPSR1TRPM8TGM2ALDH1A1

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
EP-0751119-A1 A process for preparing acryloyl carbamates or ureas DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-01-02 EP disclosed