SCHEMBL28690100

SCHEMBL28690100

Cc1ccc(CN2C(=O)C(O)(CC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.91
TP53 P04637 4/20 0.84
ALDH1A1 P00352 10/20 0.71
LMNA P02545 2/20 0.71
GAA P10253 1/20 0.71
SCN9A Q15858 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HPGD P15428 1/20 0.67
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 2/20 0.65
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 1/20 0.61
USP2 O75604 1/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.61
KMT2A Q03164 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
SCHEMBL28932883 0.96 MAPT (1.00) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28703720 0.92 MAPT (0.93) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28703726 0.92 MAPT (0.93) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL4596903 0.91 MAPT (0.75) MAPTTP53ALDH1A1SCN9AL3MBTL1
SCHEMBL28693188 0.91 ALDH1A1 (0.77) MAPTTP53ALDH1A1LMNASCN9A
SCHEMBL28932882 0.90 MAPT (0.89) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28703794 0.89 MAPT (0.88) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL4597501 0.89 MAPT (0.72) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28683361 0.88 MAPT (0.84) MAPTTP53ALDH1A1LMNAGAA
SCHEMBL28703749 0.88 MAPT (0.84) 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