SCHEMBL7006960

SCHEMBL7006960

CCOC(=O)c1cn(-c2ccc(F)cc2C)c2c(C)c([N+](=O)[O-])c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
PIM1 P11309 2/20 0.43
IRAK1 P51617 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43
PIM3 Q86V86 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
ROCK2 O75116 1/20 0.42
CDK1 P06493 1/20 0.42
PRKACA P17612 1/20 0.42
CDK2 P24941 1/20 0.42
CSNK1D P48730 1/20 0.42
GSK3A P49840 1/20 0.42
CDK5 Q00535 1/20 0.42
PRKCD Q05655 1/20 0.42

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
SCHEMBL20912638 0.90 STAT3 (0.43) STAT3ALDH1A1MAPTPIM1IRAK1
SCHEMBL7005345 0.87 STAT3 (0.47) STAT3ALDH1A1MAPTPIM1IRAK1
SCHEMBL6578888 0.87 STAT3 (0.54) STAT3ALDH1A1MAPTPIM1IRAK1
SCHEMBL7009712 0.83 STAT3 (0.44) STAT3ALDH1A1MAPTPIM1LMNA
SCHEMBL20912596 0.81 STAT3 (0.45) STAT3ALDH1A1MAPTPIM1LMNA
SCHEMBL7004096 0.81 STAT3 (0.52) STAT3ALDH1A1MAPTPIM1IRAK1
SCHEMBL7005206 0.79 STAT3 (0.40) STAT3ALDH1A1MAPTPIM1IRAK1
SCHEMBL6580577 0.79 STAT3 (0.52) STAT3ALDH1A1MAPTPIM1IRAK1
SCHEMBL31435141 0.78 STAT3 (0.62) STAT3ALDH1A1MAPTPIM1IRAK1
SCHEMBL10472475 0.78 STAT3 (0.62) STAT3ALDH1A1MAPTPIM1IRAK1

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