SCHEMBL8312703

SCHEMBL8312703

C/N=C(\N)COc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
ALOX15 P16050 1/20 0.50
MAOB P27338 3/20 0.44
AOC2 O75106 2/20 0.44
MAOA P21397 2/20 0.44
AOC3 Q16853 2/20 0.44
DAO P14920 1/20 0.44
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PARP10 Q53GL7 1/20 0.42

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
SCHEMBL1581041 0.82 GAA (0.53) GAAALOX15MAOBAOC2MAOA
SCHEMBL1581040 0.82 GAA (0.53) GAAALOX15MAOBAOC2MAOA
Hydrochloric Acid SCHEMBL836698 0.80 GAA (0.51) GAAALOX15MAOBAOC2MAOA
SCHEMBL1221676 0.72 WDR5 (0.64) ALOX15MAOBAOC2MAOAAOC3
SCHEMBL12696331 0.72 ALOX15 (0.56) GAAALOX15MAOBAOC2MAOA
SCHEMBL159433 0.72 ALOX15 (0.56) GAAALOX15MAOBAOC2MAOA
SCHEMBL138162 0.72 ALOX15 (0.68) ALOX15SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL19305271 0.72 ALOX15 (0.60) GAAALOX15LMNASMN1; SMN2ALDH1A1
SCHEMBL97376 0.72 ALOX15 (0.60) ALOX15MAOBAOC2MAOAAOC3
SCHEMBL27386501 0.72 ALOX15 (0.60) ALOX15MAOBAOC2MAOAAOC3

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-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed