SCHEMBL28705162

SCHEMBL28705162

O=C1N(CCc2ccccc2)c2ccccc2C1(O)CC(O)c1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.55
ALDH1A1 P00352 11/20 0.53
MAPT P10636 6/20 0.53
USP2 O75604 3/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SCN9A Q15858 2/20 0.46
POLB P06746 1/20 0.44
RAD52 P43351 1/20 0.44
MDM2 Q00987 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL29044123 0.87 ALDH1A1 (0.51) TP53ALDH1A1MAPTUSP2ALOX15
SCHEMBL29044109 0.86 ALDH1A1 (0.50) TP53ALDH1A1MAPTUSP2ALOX15
SCHEMBL28693182 0.85 TP53 (0.52) TP53ALDH1A1MAPTUSP2ALOX15
SCHEMBL29044117 0.85 ALDH1A1 (0.48) TP53ALDH1A1MAPTUSP2ALOX15
SCHEMBL29044126 0.83 ALDH1A1 (0.48) TP53ALDH1A1MAPTUSP2ALOX15
SCHEMBL29044128 0.82 MAPT (0.59) TP53ALDH1A1MAPTHSD17B10SMN1; SMN2
SCHEMBL29044127 0.81 ALDH1A1 (0.62) TP53ALDH1A1MAPTUSP2ALOX15
SCHEMBL29044121 0.79 ALDH1A1 (0.51) TP53ALDH1A1MAPTUSP2ALOX15
SCHEMBL28705159 0.75 ALDH1A1 (0.55) TP53ALDH1A1MAPTUSP2MAPK1
SCHEMBL24281187 0.74 RAD52 (0.72) TP53ALDH1A1MAPTMAPK1SMN1; SMN2

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