SCHEMBL29488268

SCHEMBL29488268

O=C(CCl)Nc1ccc2nc(C(=O)c3cccc(C(F)(F)F)c3)[nH]c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.45
LMNA P02545 7/20 0.45
TP53 P04637 4/20 0.45
BTK Q06187 1/20 0.44
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HIF1A Q16665 1/20 0.41
MGLL Q99685 1/20 0.41
KCNK3 O14649 1/20 0.41

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
SCHEMBL29488269 1.00 MAPT (0.45) MAPTLMNATP53BTKHTT
SCHEMBL28308601 1.00 MAPT (0.45) MAPTLMNATP53BTKHTT
SCHEMBL28738664 0.87 BRD4 (0.46) MAPTHTTALDH1A1
SCHEMBL29488254 0.82 MEN1 (0.50) MAPTALDH1A1
SCHEMBL28307895 0.82 MEN1 (0.50) MAPTALDH1A1
SCHEMBL28308718 0.80 EGFR (0.53) MAPTLMNATP53HTTL3MBTL1
SCHEMBL28738669 0.80 MGLL (0.46) MAPTHTTALDH1A1MGLL
SCHEMBL29488256 0.80 MGLL (0.46) MAPTHTTALDH1A1MGLL
SCHEMBL28940483 0.78 FFAR1 (0.54) MAPTLMNATP53HTTALDH1A1
SCHEMBL29488265 0.78 MAPT (0.46) MAPTLMNAHTTALDH1A1RXFP1

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-109897008-B 2-benzoyl-6-amino-4 (3H) -quinazolinone derivative and synthesis method and application thereof 中南大学 2022-05-03 CN disclosed