SCHEMBL28022609

SCHEMBL28022609

CC(=O)OCNc1nc(N)nc(N)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CYP1A2 P05177 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
TPH1 P17752 5/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL28072000 0.81 NPC1 (0.35) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL14544718 0.76 L3MBTL1 (0.51) L3MBTL1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL545236 0.74 CA1 (0.37) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
Ethyl Acetate SCHEMBL27589856 0.74 ALDH1A1 (0.64) NPC1RAB9ASMN1; SMN2CYP1A2GAA
SCHEMBL3105245 0.73 CA1 (0.39) NPC1RAB9ASMN1; SMN2TP53GLA
Formaldehyde SCHEMBL5702331 0.73 CA1 (0.38) NPC1RAB9ASMN1; SMN2TP53GLA
SCHEMBL8429809 0.73 CA1 (0.33) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3981799 0.72 CA1 (0.37) NPC1RAB9ASMN1; SMN2TP53GLA
SCHEMBL8578645 0.71 CA1 (0.35) NPC1RAB9ASMN1; SMN2TP53GLA
SCHEMBL963512 0.71 TLR8 (0.36) NPC1RAB9ASMN1; SMN2TP53GLA

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-104884423-A methanofullerene ROBINSON ALEX PHILIP GRAHAM 2015-09-02 CN disclosed