SCHEMBL8237229

SCHEMBL8237229

C=C(O)c1ccc(C(=O)NC)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.61
HDAC6 Q9UBN7 2/20 0.61
HDAC2 Q92769 1/20 0.61
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
PLK1 P53350 8/20 0.55
CA2 P00918 1/20 0.52
MMP13 P45452 1/20 0.50
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
THRB P10828 1/20 0.43
PLAU P00749 1/20 0.43

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
SCHEMBL250247 0.85 HDAC6 (0.80) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL479724 0.81 HDAC2 (0.67) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL424293 0.79 HDAC8 (0.64) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL16198923 0.78 HDAC6 (0.70) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL14115137 0.78 HDAC6 (0.70) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL6100 0.78 HDAC8 (0.62) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL25489176 0.77 HDAC8 (0.61) HDAC8HDAC6HDAC2HPGDTSHR
SCHEMBL10759601 0.77 HDAC8 (0.61) HDAC8HDAC6HDAC2HPGDTSHR
Hydrochloric Acid SCHEMBL5866386 0.76 HDAC8 (0.60) HDAC8HDAC6HDAC2HPGDTSHR
Methane SCHEMBL15893673 0.76 HDAC8 (0.67) HDAC8HDAC6HDAC2HPGDTSHR

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
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed