SCHEMBL7006842

SCHEMBL7006842

CCOC(=O)c1cn(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2F)c2c(C#C[Si](C)(C)C)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 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.35
ADRB2 P07550 1/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ROCK2 O75116 1/20 0.32
CDK1 P06493 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3A P49840 1/20 0.32

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 0.87 STAT3 (0.47) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7005266 0.85 STAT3 (0.46) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7004216 0.85 STAT3 (0.46) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL9181444 0.82 STAT3 (0.52) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7013130 0.82 STAT3 (0.44) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7010364 0.82 STAT3 (0.42) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7007241 0.81 STAT3 (0.41) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7008762 0.81 STAT3 (0.41) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7012204 0.79 ALDH1A1 (0.42) STAT3KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7005206 0.79 STAT3 (0.40) STAT3KDM4EHPGDALDH1A1HSD17B10

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