SCHEMBL6827232

SCHEMBL6827232

O=c1cc(-n2cnc3ccccc32)cc(C2CCCCC2)o1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
FGFR1 P11362 5/20 0.44
PIK3C3 Q8NEB9 1/20 0.42
PDE2A O00408 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
HRH3 Q9Y5N1 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6827816 0.75 HTT (0.43) HTTFGFR1PIK3C3MKNK1MKNK2
SCHEMBL6827332 0.73 NPC1 (0.44)
SCHEMBL13052913 0.71 HTT (0.77) HTTFGFR1
SCHEMBL6922673 0.69 NR2E1 (0.36)
SCHEMBL6827915 0.69 CYP11B1 (0.41) PDE3BPDE3ALMNATSHR
SCHEMBL6924372 0.69 LMNA (0.41) HRH3LMNA
SCHEMBL6924757 0.68 P4HTM (0.34) MKNK1MKNK2
SCHEMBL6823986 0.68 PDE3B (0.34) PDE3BMKNK2
SCHEMBL26709222 0.67 FGFR1 (0.43) HTTFGFR1PIK3C3PDE2APDE3B
SCHEMBL23266914 0.67 HTT (0.69) HTTFGFR1

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed