SCHEMBL7009554

SCHEMBL7009554

CNc1cc2c(c(C)c1F)c(=O)c(C(=O)O)cn2-c1cc(N)c(F)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
STAT3 P40763 1/20 0.36
FOXO1 Q12778 1/20 0.36
TOP1 P11387 2/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
TOP2A P11388 2/20 0.32
TOP2B Q02880 1/20 0.32
GSK3B P49841 2/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7011510 0.89 KCNH2 (0.41) ALDH1A1HTTKCNH2HRH3STAT3
SCHEMBL7009868 0.82 TOP1 (0.39) ALDH1A1HTTKCNH2HRH3STAT3
SCHEMBL7012363 0.82 LMNA (0.42) ALDH1A1HTTTOP1MEN1KMT2A
SCHEMBL6576283 0.81 TOP1 (0.43) ALDH1A1HTTKCNH2HRH3STAT3
SCHEMBL7011812 0.81 KCNH2 (0.47) ALDH1A1HTTKCNH2HRH3TOP1
SCHEMBL7008690 0.80 TOP1 (0.38) ALDH1A1HTTKCNH2HRH3STAT3
SCHEMBL7007324 0.79 STAT3 (0.42) ALDH1A1HTTSTAT3FOXO1TOP1
SCHEMBL7010691 0.79 STAT3 (0.39) ALDH1A1HTTSTAT3FOXO1TOP1
SCHEMBL7006724 0.78 KCNH2 (0.51) ALDH1A1KCNH2HRH3TOP1KMT2A
SCHEMBL8478990 0.78 KCNH2 (0.51) ALDH1A1KCNH2HRH3TOP1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed