SCHEMBL28660719

SCHEMBL28660719

CCCCN(CCCC)C(=O)c1cc2cc(OC)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPT P10636 3/20 0.63
PDGFRB P09619 2/20 0.60
PDGFRA P16234 2/20 0.60
HPGD P15428 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
HSD17B10 Q99714 3/20 0.56
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
OPRK1 P41145 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
FLT3 P36888 6/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL16494546 0.92 PDGFRB (0.63) KDM4EALDH1A1MAPTPDGFRBPDGFRA
SCHEMBL2735804 0.82 ATM (0.56) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL1428560 0.80 PDGFRB (0.72) KDM4EALDH1A1MAPTPDGFRBPDGFRA
SCHEMBL2717168 0.79 PDGFRB (0.70) KDM4EALDH1A1MAPTPDGFRBPDGFRA
SCHEMBL5827810 0.77 PDGFRB (0.72) KDM4EALDH1A1MAPTPDGFRBPDGFRA
SCHEMBL6866887 0.76 PDGFRB (1.00) PDGFRBPDGFRATSHRFLT3MEN1
SCHEMBL16756061 0.75 KDM4E (0.80) KDM4EALDH1A1MAPTPDGFRBPDGFRA
SCHEMBL18768548 0.75 KDM4E (0.52) KDM4EALDH1A1MAPTPDGFRBPDGFRA
SCHEMBL2729934 0.75 PDGFRB (0.79) KDM4EALDH1A1PDGFRBPDGFRAHPGD
SCHEMBL335235 0.75 PDGFRB (0.79) KDM4EALDH1A1PDGFRBPDGFRAHPGD

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-109748840-B Synthetic method of 2-substituted indole derivative 中国医学科学院药物研究所 2021-12-07 CN disclosed