SCHEMBL28705189

SCHEMBL28705189

CCCCCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.70
TP53 P04637 8/20 0.68
ALDH1A1 P00352 10/20 0.66
HSD17B10 Q99714 3/20 0.66
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 2/20 0.58
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.56
POLB P06746 1/20 0.56
USP2 O75604 1/20 0.56
MAPK1 P28482 1/20 0.56
SCN9A Q15858 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
SCHEMBL28932886 0.99 MAPT (0.72) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28696154 0.96 MAPT (0.73) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28705172 0.94 MAPT (0.81) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28705989 0.93 MAPT (0.82) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28705958 0.92 MAPT (0.76) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28690164 0.91 TP53 (0.66) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28683361 0.90 MAPT (0.84) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28690133 0.88 TP53 (0.67) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28696169 0.86 MAPT (0.67) MAPTTP53ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL28703794 0.86 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