SCHEMBL28696154

SCHEMBL28696154

CCCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
TP53 P04637 8/20 0.71
ALDH1A1 P00352 10/20 0.69
HSD17B10 Q99714 3/20 0.69
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 2/20 0.59
GAA P10253 1/20 0.58
POLB P06746 1/20 0.58
USP2 O75604 1/20 0.57
MAPK1 P28482 1/20 0.57
SCN9A Q15858 1/20 0.57

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
SCHEMBL28932886 0.97 MAPT (0.72) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28705189 0.96 MAPT (0.70) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28683361 0.94 MAPT (0.84) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28705958 0.94 MAPT (0.76) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28690133 0.92 TP53 (0.67) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28705989 0.91 MAPT (0.82) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28705172 0.90 MAPT (0.81) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28690164 0.89 TP53 (0.66) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28696169 0.88 MAPT (0.67) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28703794 0.88 MAPT (0.88) MAPTTP53ALDH1A1HSD17B10SMN1; 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