SCHEMBL4393099

SCHEMBL4393099

CC(=O)NCCc1cncn1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 0.47
QPCTL Q9NXS2 1/20 0.47
NAMPT P43490 4/20 0.47
MTNR1A P48039 6/20 0.41
KDM4E B2RXH2 2/20 0.41
F13A1 P00488 1/20 0.41
MTNR1B P49286 4/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
NQO2 P16083 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PTGS1 P23219 1/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL25217416 0.87 NAMPT (0.47) NAMPTPIK3CAPIK3CGLMNAF10
SCHEMBL12256553 0.83 MAPK1 (0.45) NAMPT
SCHEMBL12992190 0.81 TSHR (0.46) NAMPTMTNR1AMTNR1BSMN1; SMN2ALDH1A1
SCHEMBL3390804 0.79 MCL1 (0.45) NAMPTPIK3CAPIK3CGALDH1A1POLB
SCHEMBL21139472 0.79 NAMPT (0.55) NAMPTSMN1; SMN2LMNAMAPTPOLB
SCHEMBL12329647 0.78 NAMPT (0.42) NAMPTPIK3CAPIK3CGLMNAPOLB
SCHEMBL18381246 0.78 SMN1; SMN2 (0.46) NAMPTSMN1; SMN2LMNAPTGS1F10
SCHEMBL31369919 0.78 NAMPT (0.41) NAMPTPIK3CAPIK3CGLMNAPTGS1
SCHEMBL16812917 0.77 MEN1 (0.40) NAMPTKDM4EALDH1A1LMNAMAPT
SCHEMBL18381439 0.76 NAMPT (0.41) NAMPTKDM4EPIK3CAPIK3CGSMN1; SMN2

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-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed