SCHEMBL28696162

SCHEMBL28696162

Cc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccccc32)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 11/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
MAPT P10636 8/20 0.74
ALDH1A1 P00352 7/20 0.68
USP2 O75604 3/20 0.68
ALOX15 P16050 1/20 0.68
MAPK1 P28482 1/20 0.68
HSD17B10 Q99714 1/20 0.68
HTT P42858 2/20 0.67
GAA P10253 2/20 0.67
HPGD P15428 1/20 0.67
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
LMNA P02545 2/20 0.62
TSHR P16473 1/20 0.62
POLB P06746 1/20 0.61

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
SCHEMBL28636840 0.92 MAPT (0.76) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28686549 0.90 TP53 (0.69) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28696195 0.90 MAPT (0.69) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28703720 0.89 MAPT (0.93) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28690133 0.88 TP53 (0.67) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28690164 0.87 TP53 (0.66) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28705219 0.87 MAPT (0.66) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28932883 0.85 MAPT (1.00) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28690093 0.85 TP53 (0.62) TP53SMN1; SMN2MAPTALDH1A1USP2
SCHEMBL28703726 0.84 MAPT (0.93) TP53SMN1; SMN2MAPTALDH1A1USP2

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