SCHEMBL28693188

SCHEMBL28693188

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

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.77
MAPT P10636 7/20 0.77
HSD17B10 Q99714 2/20 0.77
SCN9A Q15858 2/20 0.72
HPGD P15428 1/20 0.72
MAPK1 P28482 1/20 0.72
TP53 P04637 4/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
LMNA P02545 1/20 0.62

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
SCHEMBL4596903 0.95 MAPT (0.75) ALDH1A1MAPTHSD17B10SCN9AHPGD
SCHEMBL28690100 0.91 MAPT (0.91) ALDH1A1MAPTHSD17B10SCN9AHPGD
SCHEMBL4597501 0.91 MAPT (0.72) ALDH1A1MAPTHSD17B10SCN9AHPGD
SCHEMBL28686592 0.91 ALDH1A1 (0.77) ALDH1A1MAPTHSD17B10SCN9AHPGD
SCHEMBL28703720 0.89 MAPT (0.93) ALDH1A1MAPTHSD17B10MAPK1TP53
SCHEMBL2913548 0.87 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10SCN9AHPGD
SCHEMBL28705958 0.86 MAPT (0.76) ALDH1A1MAPTHSD17B10SCN9AMAPK1
SCHEMBL28932883 0.86 MAPT (1.00) ALDH1A1MAPTHSD17B10MAPK1TP53
SCHEMBL28696196 0.85 ALDH1A1 (0.70) ALDH1A1MAPTHSD17B10MAPK1TP53
SCHEMBL28703726 0.85 MAPT (0.93) ALDH1A1MAPTHSD17B10MAPK1TP53

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