SCHEMBL7013423

SCHEMBL7013423

CCOC(=O)c1cn(-c2cc(OC(C)(C)C)c(F)c(N=C=O)c2F)c2c(Cl)c(N)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.43
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.35
ADRB2 P07550 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
ROCK2 O75116 1/20 0.31
CDK1 P06493 1/20 0.31
PRKACA P17612 1/20 0.31
CDK2 P24941 1/20 0.31
CSNK1D P48730 1/20 0.31
GSK3A P49840 1/20 0.31
CDK5 Q00535 1/20 0.31

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
SCHEMBL8184167 0.93 STAT3 (0.44) STAT3HTTKDM4EHPGDALDH1A1
SCHEMBL7013788 0.89 STAT3 (0.41) STAT3HTTKDM4EHPGDALDH1A1
SCHEMBL7011781 0.88 STAT3 (0.39) STAT3HTTKDM4EALDH1A1NPC1
SCHEMBL7009129 0.84 STAT3 (0.38) STAT3HTTKDM4EHPGDALDH1A1
SCHEMBL7008762 0.74 STAT3 (0.41) STAT3HTTKDM4EHPGDALDH1A1
SCHEMBL19729299 0.73 STAT3 (0.43) STAT3HTTKDM4EHPGDALDH1A1
SCHEMBL7007759 0.71 STAT3 (0.52) STAT3HTTKDM4EHPGDALDH1A1
SCHEMBL7009112 0.69 STAT3 (0.46) STAT3HTTKDM4EHPGDALDH1A1
SCHEMBL7011514 0.69 STAT3 (0.47) STAT3HTTKDM4EHPGDALDH1A1
SCHEMBL7004211 0.68 STAT3 (0.53) STAT3HTTKDM4EHPGDALDH1A1

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 1 patent. 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