SCHEMBL28705172

SCHEMBL28705172

CCCCCCc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccc(C)cc3)c3ccccc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.81
TP53 P04637 7/20 0.78
ALDH1A1 P00352 9/20 0.64
LMNA P02545 2/20 0.64
GAA P10253 1/20 0.64
HSD17B10 Q99714 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
USP2 O75604 2/20 0.55
TSHR P16473 1/20 0.55
HTT P42858 1/20 0.55
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL28705989 0.99 MAPT (0.82) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28683361 0.96 MAPT (0.84) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28705189 0.94 MAPT (0.70) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28932886 0.93 MAPT (0.72) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28703794 0.92 MAPT (0.88) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28696154 0.90 MAPT (0.73) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28932883 0.90 MAPT (1.00) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28690108 0.88 MAPT (0.79) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28703720 0.87 MAPT (0.93) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28703726 0.87 MAPT (0.93) MAPTTP53ALDH1A1LMNAGAA

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