SCHEMBL28684347

SCHEMBL28684347

Cc1ccc(CN2C(=O)C(O)(CC(=O)c3ccc(OCc4ccccc4)cc3)c3ccccc32)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.79
TP53 P04637 7/20 0.74
LMNA P02545 2/20 0.65
ALDH1A1 P00352 10/20 0.63
GAA P10253 1/20 0.63
HSD17B10 Q99714 3/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 2/20 0.55
USP2 O75604 2/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL28696196 0.94 ALDH1A1 (0.70) MAPTTP53LMNAALDH1A1HSD17B10
SCHEMBL28703720 0.90 MAPT (0.93) MAPTTP53LMNAALDH1A1GAA
SCHEMBL28703749 0.89 MAPT (0.84) MAPTTP53LMNAALDH1A1GAA
SCHEMBL28932883 0.89 MAPT (1.00) MAPTTP53LMNAALDH1A1GAA
SCHEMBL28690108 0.89 MAPT (0.79) MAPTTP53LMNAALDH1A1GAA
SCHEMBL28703726 0.88 MAPT (0.93) MAPTTP53LMNAALDH1A1GAA
SCHEMBL28932882 0.86 MAPT (0.89) MAPTTP53LMNAALDH1A1GAA
SCHEMBL28696169 0.85 MAPT (0.67) MAPTTP53LMNAALDH1A1HSD17B10
SCHEMBL28690100 0.85 MAPT (0.91) MAPTTP53LMNAALDH1A1GAA
SCHEMBL28703794 0.83 MAPT (0.88) MAPTTP53LMNAALDH1A1GAA

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-114057626-A Indole-2, 3-dione derivative, preparation method thereof and anti-liver cancer drug for inhibiting RECQL4 specific expression 山东第一医科大学(山东省医学科学院) 2022-02-18 CN disclosed