SCHEMBL8237227

SCHEMBL8237227

C=C(O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
MAPT P10636 7/20 0.58
ALOX15 P16050 4/20 0.58
HPGD P15428 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
TP53 P04637 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
TSHR P16473 2/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 2/20 0.56
STAT1 P42224 1/20 0.56
HDAC6 Q9UBN7 1/20 0.52
KDM4E B2RXH2 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL10473961 0.85 ALDH1A1 (0.60) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL10472913 0.85 ALDH1A1 (0.60) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL10472733 0.83 ALDH1A1 (0.57) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL614472 0.82 NPC1 (0.66) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL610702 0.82 NPC1 (0.66) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL609043 0.82 ALDH1A1 (0.56) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL611035 0.82 ALDH1A1 (0.56) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL8246379 0.82 ALDH1A1 (0.59) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL611868 0.80 MAPT (0.68) ALDH1A1MAPTALOX15HPGDL3MBTL1
SCHEMBL21320271 0.80 NPC1 (0.56) ALDH1A1MAPTNPC1RAB9ATP53

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