SCHEMBL28696196

SCHEMBL28696196

O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.70
MAPT P10636 8/20 0.70
HSD17B10 Q99714 3/20 0.70
TP53 P04637 7/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.62
NPSR1 Q6W5P4 2/20 0.58
LMNA P02545 1/20 0.57
USP2 O75604 1/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 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
SCHEMBL28684347 0.94 MAPT (0.79) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL28696169 0.89 MAPT (0.67) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL28693188 0.85 ALDH1A1 (0.77) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL28686592 0.85 ALDH1A1 (0.77) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL28703720 0.84 MAPT (0.93) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL28703749 0.82 MAPT (0.84) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL28690108 0.82 MAPT (0.79) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL28705958 0.82 MAPT (0.76) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL4596903 0.81 MAPT (0.75) ALDH1A1MAPTHSD17B10TP53MEN1
SCHEMBL28932883 0.81 MAPT (1.00) ALDH1A1MAPTHSD17B10TP53MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057626-B 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) 2023-06-30 CN disclosed
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