SCHEMBL7787075

SCHEMBL7787075

COc1cc(-c2c(F)cccc2F)c2c(c1)N(C)c1ccccc1C2C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
CCKAR P32238 2/20 0.35
CCKBR P32239 2/20 0.35
BRD4 O60885 1/20 0.35
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTR2A P28223 1/20 0.33

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
SCHEMBL7797026 0.92 HDAC4 (0.38) MAPTMEN1KMT2AHDAC4HDAC7
SCHEMBL7796571 0.84 HDAC4 (0.46) MAPTMEN1KMT2AHDAC4HDAC7
Acridan SCHEMBL6586926 0.83 ALDH1A1 (0.32) MAPTMEN1KMT2AHDAC4HDAC7
SCHEMBL7793833 0.78 HDAC4 (0.49) MAPTHDAC4HDAC7HDAC5SMN1; SMN2
SCHEMBL6130200 0.77 HDAC4 (0.46) MAPTMEN1KMT2AHDAC4HDAC7
Acridan SCHEMBL7596523 0.76 MEN1 (0.37) MAPTMEN1KMT2AHDAC4HDAC7
SCHEMBL7797022 0.73 HDAC4 (0.49) MAPTMEN1KMT2AHDAC4HDAC7
SCHEMBL7787066 0.73 HDAC4 (0.44) MAPTMEN1KMT2AHDAC4HDAC7
SCHEMBL7787007 0.73 MEN1 (0.41) MAPTMEN1KMT2AHDAC4HDAC7
SCHEMBL7592240 0.72 MAPT (0.41) MAPTMEN1KMT2AHDAC4HDAC7

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