SCHEMBL27345451

SCHEMBL27345451

CCOC(=O)c1cccnc1NC(C)=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.71
TSHR P16473 2/20 0.53
PPIA P62937 1/20 0.53
BRD4 O60885 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 2/20 0.47
CNR2 P34972 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL30772996 1.00 HTT (0.71) HTTTSHRPPIABRD4NPC1
SCHEMBL9502644 0.88 HTT (0.71) HTTTSHRPPIABRD4NPC1
SCHEMBL28000002 0.85 HTT (0.67) HTTTSHRPPIABRD4NPC1
SCHEMBL12426304 0.84 CNR2 (0.60) HTTTSHRNPC1RAB9AMAPT
SCHEMBL28137220 0.84 HTT (0.65) HTTTSHRPPIABRD4NPC1
SCHEMBL1179791 0.84 HTT (0.65) HTTTSHRPPIABRD4NPC1
SCHEMBL18640752 0.83 HTT (1.00) HTTTSHRPPIANPC1RAB9A
SCHEMBL4611494 0.82 HTT (0.64) HTTTSHRPPIABRD4NPC1
SCHEMBL6612663 0.81 ALDH1A1 (0.68) HTTTSHRPPIABRD4NPC1
SCHEMBL15639452 0.81 HTT (0.62) HTTTSHRPPIABRD4NPC1

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
CN-1043344-C New heterocyclic compounds KRONSEDER MASCHF KRONES (JP) 1999-05-12 CN disclosed