SCHEMBL14294456

SCHEMBL14294456

CCc1cnc2ncn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
GAA P10253 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
GFER P55789 2/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6B P35913 1/20 0.33
PDE1A P54750 1/20 0.33

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
SCHEMBL7916582 0.75 HRH4 (0.38) NPC1RAB9AGAAKDM4EHPGD
SCHEMBL6125859 0.73 DYRK1A (0.37) GAAHSD17B10ALDH1A1MAPTGRM5
SCHEMBL31221748 0.73 MET (0.46) SMN1; SMN2HSD17B10HTTALDH1A1MAPT
SCHEMBL1104630 0.73 MET (0.46) SMN1; SMN2HSD17B10HTTALDH1A1MAPT
SCHEMBL13750010 0.73 HDAC1 (0.33) NPC1RAB9AGAAKDM4EHPGD
SCHEMBL12524654 0.72 GRM5 (0.46) NPC1RAB9AGAAKDM4EHPGD
SCHEMBL8738054 0.70 NPC1 (0.54) NPC1RAB9AGAAKDM4EHPGD
SCHEMBL764284 0.70 NPC1 (0.66) NPC1RAB9AGAAKDM4EHPGD
SCHEMBL19836262 0.70 HRH3 (0.38) NPC1RAB9AGAAKDM4EHPGD
SCHEMBL22152275 0.69 PIK3CB (0.39) NPC1RAB9AGAAKDM4EHPGD

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
US-7332476-B2 Pyridyl substituted ketolide antibiotics NOVARTIS AG (CH) 2008-02-19 US disclosed