SCHEMBL23949768

SCHEMBL23949768

O=Nc1ccc(C2Nc3c(C(=O)O)cccc3C3C=CCC32)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 5/20 0.71
HSPD1 P10809 1/20 0.62
HSPE1 P61604 1/20 0.62
CDC25B P30305 1/20 0.61
PSD A5PKW4 1/20 0.61
POLB P06746 5/20 0.56
MAPT P10636 4/20 0.56
GAA P10253 3/20 0.56
LIN28A Q9H9Z2 1/20 0.55
PTPN7 P35236 4/20 0.51
HSPA1A P0DMV8 3/20 0.51
HSPA8 P11142 3/20 0.51
CD44 P16070 1/20 0.51
MSN P26038 1/20 0.51
FPR1 P21462 1/20 0.48
CDK2 P24941 1/20 0.48
HPN P05981 1/20 0.47
GRK6 P43250 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 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
SCHEMBL3413588 0.89 NR4A1 (0.76) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL23949779 0.87 NR4A1 (0.74) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL13856218 0.83 NR4A1 (1.00) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL3414395 0.82 NR4A1 (0.67) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL3412168 0.80 NR4A1 (0.71) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL15828211 0.80 NR4A1 (0.71) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL14883457 0.79 NR4A1 (0.63) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL23949797 0.79 NR4A1 (0.72) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL13856249 0.79 NR4A1 (1.00) NR4A1HSPD1HSPE1CDC25BPSD
SCHEMBL13856992 0.78 NR4A1 (0.83) NR4A1HSPD1HSPE1CDC25BPSD

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-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 WO disclosed