SCHEMBL7009285

SCHEMBL7009285

Cc1c(N)c([N+](=O)[O-])cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c12

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.49
TOP2A P11388 7/20 0.40
PIM1 P11309 4/20 0.38
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP2C9 P11712 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TOP2B Q02880 1/20 0.35
TSHR P16473 1/20 0.34
CYP3A4 P08684 2/20 0.34

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
SCHEMBL7006859 0.93 TOP1 (0.52) TOP1TOP2APIM1POLBMAPT
SCHEMBL7012923 0.89 TOP1 (0.46) TOP1TOP2APIM1POLBMAPT
SCHEMBL7007774 0.87 TOP1 (0.53) TOP1TOP2APIM1POLBMAPT
SCHEMBL7011151 0.87 TOP1 (0.49) TOP1TOP2APIM1POLBKMT2A
SCHEMBL7009723 0.86 TOP1 (0.44) TOP1TOP2APIM1POLBMAPT
SCHEMBL7004402 0.84 TOP1 (0.49) TOP1TOP2APIM1POLBMAPT
SCHEMBL7009836 0.83 TOP1 (0.44) TOP1TOP2APIM1POLBKMT2A
SCHEMBL7009919 0.82 TOP1 (0.47) TOP1TOP2APIM1POLBKMT2A
SCHEMBL6578587 0.82 TOP1 (0.54) TOP1TOP2APIM1POLBKMT2A
SCHEMBL7008317 0.82 TOP1 (0.45) TOP1TOP2APIM1POLBMAPT

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