SCHEMBL7005266

SCHEMBL7005266

CCOC(=O)c1cn(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2F)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.46
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
ADRB2 P07550 1/20 0.37
CYP2C19 P33261 1/20 0.36
POLB P06746 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 2/20 0.34
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

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
SCHEMBL6576291 0.93 STAT3 (0.47) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7008762 0.92 STAT3 (0.41) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7009112 0.92 STAT3 (0.46) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7004216 0.90 STAT3 (0.46) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7004413 0.88 STAT3 (0.41) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7013130 0.87 STAT3 (0.44) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7010364 0.87 STAT3 (0.42) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7009121 0.86 PIM1 (0.37) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7007241 0.85 STAT3 (0.41) STAT3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL7006842 0.85 STAT3 (0.46) STAT3KDM4EALDH1A1HPGDHSD17B10

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 5 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
US-5994575-A Phenylenediamines and process for preparing the same WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-11-30 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
EP-0897909-A1 NOVEL PHENYLENEDIAMINES AND PROCESS FOR PREPARING THE SAME WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed