SCHEMBL23949779

SCHEMBL23949779

O=C(O)c1cccc2c1NC(c1ccc(F)cc1)C1CC=CC21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 5/20 0.74
GAA P10253 4/20 0.73
MAPT P10636 4/20 0.73
POLB P06746 4/20 0.73
HSPD1 P10809 1/20 0.64
HSPE1 P61604 1/20 0.64
CDC25B P30305 1/20 0.64
PSD A5PKW4 1/20 0.63
LIN28A Q9H9Z2 1/20 0.59
PTPN7 P35236 4/20 0.53
HSPA1A P0DMV8 2/20 0.53
HSPA8 P11142 2/20 0.53
CD44 P16070 1/20 0.53
MSN P26038 1/20 0.53
APOBEC3A P31941 1/20 0.51
HPN P05981 1/20 0.51
FPR1 P21462 1/20 0.49
CDK2 P24941 1/20 0.49
GRK6 P43250 1/20 0.47
PTPN22 Q9Y2R2 2/20 0.47

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
SCHEMBL14883455 0.92 MAPT (0.74) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL3413588 0.91 NR4A1 (0.76) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL23949768 0.87 NR4A1 (0.71) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL23949797 0.85 NR4A1 (0.72) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL13856218 0.85 NR4A1 (1.00) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL14886122 0.84 MAPT (1.00) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL3414395 0.84 NR4A1 (0.67) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL15828211 0.82 NR4A1 (0.71) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL3412168 0.82 NR4A1 (0.71) NR4A1GAAMAPTPOLBHSPD1
SCHEMBL17704819 0.82 PSD (0.76) NR4A1GAAMAPTPOLBHSPD1

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