SCHEMBL7797048

SCHEMBL7797048

COc1ccc2c(c1-c1c(F)ccc(F)c1F)C(C(=O)O)c1ccccc1N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
FFAR2 O15552 4/20 0.33
CTSA P10619 2/20 0.33
PIN1 Q13526 1/20 0.33
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL7787061 0.88 MAPT (0.37) MAPTMEN1KMT2ACTSAALDH1A1
SCHEMBL7797026 0.79 HDAC4 (0.38) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL8877458 0.79 KDM4E (0.35) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL2452974 0.75 GUCY1B2 (0.42) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL7796571 0.75 HDAC4 (0.46) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL9394514 0.73 HDAC4 (0.47) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL27488661 0.73 HDAC4 (0.40) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL7787075 0.72 MAPT (0.39) HDAC4HDAC7HDAC5MAPTMEN1
Acridan SCHEMBL6586926 0.72 ALDH1A1 (0.32) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL7587330 0.71 BRD4 (0.33) MAPTHTT

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
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP claimed