SCHEMBL7009919

SCHEMBL7009919

Cc1cc2c(=O)c(C(=O)O)cn(-c3cc(N)c(F)cc3F)c2c([N+](=O)[O-])c1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 10/20 0.47
PIM1 P11309 3/20 0.43
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TOP2A P11388 8/20 0.40
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
TOP2B Q02880 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL7013639 0.91 TOP1 (0.53) TOP1PIM1ALDH1A1KDM4EPOLB
SCHEMBL7010438 0.89 PIM1 (0.47) TOP1PIM1ALDH1A1KDM4EPOLB
SCHEMBL7006859 0.85 TOP1 (0.52) TOP1PIM1ALDH1A1KDM4EPOLB
SCHEMBL8180660 0.85 PIM1 (0.52) TOP1PIM1ALDH1A1KDM4EPOLB
Methylamine SCHEMBL7004401 0.84 PIM1 (0.51) TOP1PIM1ALDH1A1KDM4EPOLB
SCHEMBL7007774 0.83 TOP1 (0.53) TOP1PIM1ALDH1A1KDM4EPOLB
SCHEMBL7009285 0.82 TOP1 (0.49) TOP1PIM1ALDH1A1KDM4EPOLB
SCHEMBL6578587 0.80 TOP1 (0.54) TOP1PIM1ALDH1A1KDM4EPOLB
SCHEMBL7004402 0.80 TOP1 (0.49) TOP1PIM1ALDH1A1KDM4EPOLB
SCHEMBL7012923 0.79 TOP1 (0.46) TOP1PIM1ALDH1A1KDM4EPOLB

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