SCHEMBL7009244

SCHEMBL7009244

CCOC(=O)c1cn(-c2nc(NC(C)(C)C)c(F)cc2F)c2c(C)c([N+](=O)[O-])c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.42
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 2/20 0.37
ADRB2 P07550 1/20 0.35
PIM1 P11309 2/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2921621 0.88 STAT3 (0.49) STAT3ALDH1A1LMNAHTTKMT2A
SCHEMBL7007816 0.86 STAT3 (0.44) STAT3ALDH1A1LMNAMAPTHTT
SCHEMBL7171849 0.86 STAT3 (0.55) STAT3ALDH1A1LMNAHTTPOLB
SCHEMBL7173400 0.83 HTT (0.42) STAT3ALDH1A1LMNAMAPTNPC1
SCHEMBL2919164 0.83 STAT3 (0.48) STAT3ALDH1A1LMNAHTTKMT2A
SCHEMBL2925163 0.83 STAT3 (0.48) STAT3ALDH1A1LMNAMAPTNPC1
SCHEMBL2919782 0.79 STAT3 (0.51) STAT3ALDH1A1LMNAMAPTNPC1
SCHEMBL7199865 0.79 STAT3 (0.41) STAT3ALDH1A1LMNAMAPTNPC1
SCHEMBL2917905 0.78 STAT3 (0.52) STAT3ALDH1A1LMNAHTTKMT2A
SCHEMBL2916260 0.77 STAT3 (0.47) STAT3ALDH1A1LMNAMAPTNPC1

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