SCHEMBL7008534

SCHEMBL7008534

CNc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(NC)c(C)c32)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 7/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSP90AA1 P07900 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PIM1 P11309 4/20 0.40
TOP2A P11388 6/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 3/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TOP2B Q02880 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KCNH2 Q12809 1/20 0.36
XBP1 P17861 1/20 0.36
NFKB1 P19838 1/20 0.36
HTT P42858 1/20 0.36
NFKB2 Q00653 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
SCHEMBL7011077 0.90 TOP1 (0.48) TOP1POLBKDM4EALDH1A1HSP90AA1
SCHEMBL7005792 0.89 TOP1 (0.40) TOP1POLBKDM4EALDH1A1HSP90AA1
SCHEMBL8178742 0.88 PIM1 (0.42) TOP1POLBKDM4EALDH1A1HSP90AA1
SCHEMBL7014048 0.88 TOP1 (0.46) TOP1POLBKDM4EALDH1A1HSP90AA1
Methylamine SCHEMBL7006667 0.87 PIM1 (0.43) TOP1POLBKDM4EALDH1A1HSP90AA1
SCHEMBL7009626 0.83 TOP1 (0.47) TOP1POLBKDM4EALDH1A1HSP90AA1
SCHEMBL7006407 0.81 LMNA (0.47) TOP1POLBKDM4EALDH1A1HSP90AA1
SCHEMBL7012609 0.78 PIM1 (0.42) TOP1POLBKDM4EALDH1A1HSP90AA1
SCHEMBL7007296 0.78 TOP1 (0.46) TOP1POLBKDM4EALDH1A1HSP90AA1
SCHEMBL7010068 0.78 PIM1 (0.48) TOP1POLBKDM4EALDH1A1HSP90AA1

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