SCHEMBL6920422

SCHEMBL6920422

CCn1nc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.52
CSF1R P07333 1/20 0.52
RET P07949 1/20 0.52
LTK P29376 1/20 0.52
CSNK1A1 P48729 1/20 0.52
CDK8 P49336 1/20 0.52
CLK2 P49760 1/20 0.52
CDK5 Q00535 1/20 0.52
ACVR1 Q04771 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
GRN P28799 6/20 0.49
SORT1 Q99523 6/20 0.49
CNR1 P21554 5/20 0.48
CNR2 P34972 5/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL2311794 0.85 GRN (0.66) GRNSORT1CNR1CNR2KDM4E
SCHEMBL5906753 0.83 GRN (0.52) GRNSORT1CNR1CNR2KDM4E
SCHEMBL3995561 0.80 GRN (0.46) GRNSORT1CNR1CNR2KDM4E
SCHEMBL1897360 0.79 GRN (0.80) GRNSORT1ALDH1A1NPC1MAPT
SCHEMBL3285239 0.79 MAPT (0.56) AURKACSF1RRETLTKCSNK1A1
Oxalic Acid SCHEMBL1013112 0.79 GRN (0.44) AURKACSF1RRETLTKCSNK1A1
SCHEMBL352072 0.77 GRN (0.71) AURKACSF1RRETLTKCSNK1A1
SCHEMBL26415207 0.77 STING1 (0.43) AURKACSF1RRETLTKCSNK1A1
Hydrochloric Acid SCHEMBL31066894 0.77 MAPT (0.55) AURKACSF1RRETLTKCSNK1A1
SCHEMBL5906646 0.76 CNR1 (0.47) AURKAGRNSORT1CNR1CNR2

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-2004106324-A1 AZOLECARBOXAMIDE HERBICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2004-12-09 WO claimed