SCHEMBL7797026

SCHEMBL7797026

COc1cc(-c2c(F)ccc(F)c2F)c2c(c1)N(C)c1ccccc1C2C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRK6 P43250 1/20 0.33
FFAR2 O15552 1/20 0.33
EDNRA P25101 2/20 0.32
EDNRB P24530 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK14 Q16539 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TTR P02766 1/20 0.31

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
SCHEMBL7787075 0.92 MAPT (0.39) HDAC4HDAC7HDAC5MAPTMEN1
Acridan SCHEMBL6586926 0.90 ALDH1A1 (0.32) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL8877458 0.79 KDM4E (0.35) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL7797048 0.79 HDAC4 (0.39) HDAC4HDAC7HDAC5MAPTMEN1
SCHEMBL7587330 0.78 BRD4 (0.33) MAPTSMN1; SMN2GRK6TSHRNPC1
SCHEMBL7796571 0.76 HDAC4 (0.46) HDAC4HDAC7HDAC5MAPTMEN1
Acridan SCHEMBL7594988 0.74 HDAC3 (0.32) HDAC4HDAC7HDAC5ALDH1A1TSHR
SCHEMBL7793833 0.74 HDAC4 (0.49) HDAC4HDAC7HDAC5MAPTEGFR
SCHEMBL7787061 0.73 MAPT (0.37) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7797022 0.71 HDAC4 (0.49) HDAC4HDAC7HDAC5MAPTMEN1

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 2 patents. 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
CN-1156506-A Chemiluminescent detection using 9, 10-acridan hydrolase LUMIGEN CO LTD (US) 1997-08-06 CN disclosed