SCHEMBL7009129

SCHEMBL7009129

CCOC(=O)c1cn(-c2cc(OC(C)(C)C)c(F)c(N=C=O)c2F)c2c(Cl)c(NCc3ccccc3)c(F)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.38
ADRB2 P07550 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIM1 P11309 1/20 0.34
IRAK1 P51617 1/20 0.34
CAMK2B Q13554 1/20 0.34
CAMK2G Q13555 1/20 0.34
CAMK2D Q13557 1/20 0.34
PIM3 Q86V86 1/20 0.34
ADORA1 P30542 1/20 0.34
P2RX3 P56373 1/20 0.33
HTT P42858 1/20 0.33
PDE4B Q07343 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
SCHEMBL7013423 0.84 STAT3 (0.43) STAT3ADRB2HPGDALDH1A1LMNA
SCHEMBL8184167 0.81 STAT3 (0.44) STAT3ADRB2HPGDALDH1A1LMNA
SCHEMBL7013788 0.78 STAT3 (0.41) STAT3ADRB2HPGDALDH1A1LMNA
SCHEMBL7009121 0.78 PIM1 (0.37) STAT3ADRB2HPGDALDH1A1LMNA
SCHEMBL7011781 0.76 STAT3 (0.39) STAT3ALDH1A1KDM4EHTTNPC1
SCHEMBL7005450 0.68 STAT3 (0.48) STAT3ADRB2HPGDKDM4ESMN1; SMN2
SCHEMBL19728752 0.66 ADRB2 (0.39) STAT3ADRB2HPGDALDH1A1LMNA
SCHEMBL7009112 0.66 STAT3 (0.46) STAT3ADRB2HPGDALDH1A1LMNA
SCHEMBL19728358 0.66 STAT3 (0.41) STAT3ADRB2HPGDALDH1A1LMNA
SCHEMBL7004211 0.65 STAT3 (0.53) STAT3ADRB2HPGDALDH1A1LMNA

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