SCHEMBL7010068

SCHEMBL7010068

CNc1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)c(O)c3)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.48
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP1 P11387 1/20 0.38
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
RORC P51449 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL7006342 0.89 PIM1 (0.52) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7009109 0.87 ALDH1A1 (0.54) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7005792 0.84 TOP1 (0.40) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7005409 0.78 ALDH1A1 (0.54) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7008534 0.78 TOP1 (0.42) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7008844 0.78 PIM1 (0.56) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7014048 0.77 TOP1 (0.46) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7008208 0.76 PIM1 (0.50) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL6215095 0.74 PIM1 (0.56) PIM1ALDH1A1KDM4EPOLBHSP90AA1
SCHEMBL7006952 0.74 ALDH1A1 (0.52) PIM1ALDH1A1KDM4EPOLBHSP90AA1

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