SCHEMBL28683405

SCHEMBL28683405

Cc1ccc(CN2C(=O)C(O)(CC(O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
ALDH1A1 P00352 8/20 0.52
TP53 P04637 5/20 0.52
SCN9A Q15858 7/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL28705159 0.92 ALDH1A1 (0.55) MAPTALDH1A1TP53SCN9ASMN1; SMN2
SCHEMBL29044128 0.86 MAPT (0.59) MAPTALDH1A1TP53SCN9ALMNA
SCHEMBL29044119 0.84 MAPT (0.59) MAPTALDH1A1TP53SCN9ALMNA
SCHEMBL28693182 0.83 TP53 (0.52) MAPTALDH1A1TP53SCN9ALMNA
SCHEMBL29044118 0.83 MAPT (0.53) MAPTALDH1A1TP53LMNAGAA
SCHEMBL29044113 0.82 MAPT (0.57) MAPTALDH1A1TP53SCN9ALMNA
SCHEMBL29044115 0.77 MAPT (0.55) MAPTALDH1A1TP53SCN9ALMNA
SCHEMBL28703717 0.75 ALDH1A1 (0.59) MAPTALDH1A1TP53SCN9ASMN1; SMN2
SCHEMBL28696462 0.74 ALDH1A1 (0.59) MAPTALDH1A1TP53SCN9ASMN1; SMN2
SCHEMBL28690100 0.74 MAPT (0.91) MAPTALDH1A1TP53SCN9ALMNA

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