SCHEMBL7004402

SCHEMBL7004402

CNc1c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c1F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 11/20 0.49
PIM1 P11309 4/20 0.40
TOP2A P11388 9/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TOP2B Q02880 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
SCHEMBL7012923 0.92 TOP1 (0.46) TOP1PIM1TOP2APOLBKDM4E
SCHEMBL7007774 0.88 TOP1 (0.53) TOP1PIM1TOP2APOLBKDM4E
SCHEMBL7006859 0.87 TOP1 (0.52) TOP1PIM1TOP2APOLBKDM4E
SCHEMBL8180660 0.86 PIM1 (0.52) TOP1PIM1TOP2APOLBKDM4E
Methylamine SCHEMBL7004401 0.85 PIM1 (0.51) TOP1PIM1TOP2APOLBKDM4E
SCHEMBL7006990 0.85 TOP1 (0.45) TOP1PIM1TOP2APOLBKDM4E
SCHEMBL7010438 0.84 PIM1 (0.47) TOP1PIM1TOP2APOLBKDM4E
SCHEMBL7009723 0.84 TOP1 (0.44) TOP1PIM1TOP2APOLBKDM4E
SCHEMBL7009285 0.84 TOP1 (0.49) TOP1PIM1TOP2APOLBKDM4E
SCHEMBL7010149 0.83 LMNA (0.43) TOP1PIM1TOP2APOLBKDM4E

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