SCHEMBL8281122

SCHEMBL8281122

CC(=O)CC(=O)c1ccc(F)c(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 5/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GFER P55789 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
PLEC Q15149 1/20 0.38
CREBBP Q92793 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL23709229 0.84 CES2 (0.55) HDAC1HDAC6GAAMEN1KMT2A
SCHEMBL27519359 0.82 MAPT (0.50) KDM4EGAAHSD17B10GFERMEN1
SCHEMBL14982171 0.81 PIM1 (0.52) HDAC1HDAC6KDM4EGAAMEN1
SCHEMBL8960208 0.81 MAPT (0.61) PRKCIKDM4EGAAHSD17B10GFER
SCHEMBL11569656 0.81 MAPT (0.50) PRKCIKDM4EGAAHSD17B10GFER
SCHEMBL935912 0.80 PRKCI (0.56) HDAC1HDAC6PRKCIKDM4EGAA
SCHEMBL2256181 0.79 TAS1R3 (0.49) KDM4EMEN1KMT2AMAPTHPGD
SCHEMBL8879619 0.79 GSK3B (0.52) HDAC1HDAC6KDM4EGAAHSD17B10
SCHEMBL27450524 0.78 ALDH1A1 (0.47) PRKCIKDM4EGAAHSD17B10GFER
SCHEMBL16064398 0.77 HDAC1 (0.59) HDAC1HDAC6MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934227-B1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORP (US) 2011-12-21 EP disclosed
EP-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 EP disclosed
WO-2007035542-A1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-03-29 WO disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed