SCHEMBL23949797

SCHEMBL23949797

O=C(O)c1cccc2c1NC(c1ccccc1F)C1CC=CC21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 5/20 0.72
APOBEC3A P31941 1/20 0.69
CDC25B P30305 1/20 0.65
PTPN7 P35236 6/20 0.59
HSPD1 P10809 1/20 0.57
HSPE1 P61604 1/20 0.57
POLB P06746 5/20 0.54
MAPT P10636 5/20 0.54
GAA P10253 3/20 0.54
HSPA1A P0DMV8 4/20 0.54
HSPA8 P11142 4/20 0.54
CD44 P16070 1/20 0.54
MSN P26038 1/20 0.54
PSD A5PKW4 1/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
RECQL P46063 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MCL1 Q07820 2/20 0.51

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 0.87 NR4A1 (0.76) NR4A1APOBEC3ACDC25BPTPN7HSPD1
SCHEMBL23949779 0.85 NR4A1 (0.74) NR4A1APOBEC3ACDC25BPTPN7HSPD1
SCHEMBL13856249 0.84 NR4A1 (1.00) NR4A1APOBEC3ACDC25BPTPN7HSPD1
SCHEMBL2804418 0.79 CDC25B (1.00) NR4A1APOBEC3ACDC25BPTPN7POLB
SCHEMBL14758490 0.79 CDC25B (1.00) NR4A1APOBEC3ACDC25BPTPN7POLB
SCHEMBL23949768 0.79 NR4A1 (0.71) NR4A1APOBEC3ACDC25BPTPN7HSPD1
SCHEMBL3412168 0.79 NR4A1 (0.71) NR4A1CDC25BPTPN7HSPD1HSPE1
SCHEMBL15828211 0.79 NR4A1 (0.71) NR4A1CDC25BPTPN7HSPD1HSPE1
SCHEMBL3414395 0.78 NR4A1 (0.67) NR4A1APOBEC3ACDC25BPTPN7HSPD1
SCHEMBL17704819 0.78 PSD (0.76) NR4A1APOBEC3APTPN7HSPD1HSPE1

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