SCHEMBL23949479

SCHEMBL23949479

Cc1c(C(=O)O)ccc2c1NCCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
SRC P12931 1/20 0.39
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC13A5 Q86YT5 1/20 0.34
PARP1 P09874 1/20 0.34
RXRA P19793 2/20 0.33
HDAC4 P56524 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL3500046 0.83 SRC (0.40) KDM4EMAPTSRCPRMT5WDR77
SCHEMBL1520555 0.77 SRC (0.51) KDM4EMAPTSRCPRMT5WDR77
SCHEMBL30647012 0.77 SRC (0.51) KDM4EMAPTSRCPRMT5WDR77
SCHEMBL3744568 0.75 SRC (0.38) KDM4EMAPTSRCALDH1A1HPGD
SCHEMBL6970151 0.75 PARP1 (0.39) KDM4EMAPTSRCALDH1A1HPGD
SCHEMBL3945745 0.74 KDM4E (0.43) KDM4EMAPTSRCALDH1A1HPGD
SCHEMBL6419613 0.74 RXRA (0.46) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL10157943 0.73 SRC (0.38) KDM4EMAPTSRCALDH1A1HPGD
SCHEMBL25590825 0.73 SRC (0.35) KDM4EMAPTSRCSLC13A5CYP1A2
SCHEMBL10909715 0.73 SRC (0.36) KDM4EMAPTSRCALDH1A1HSD17B10

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