SCHEMBL7004765

SCHEMBL7004765

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.39
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HTT P42858 1/20 0.35
GLA P06280 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 3/20 0.33
ADRB2 P07550 1/20 0.33
PIM1 P11309 1/20 0.33
IRAK1 P51617 1/20 0.33
CAMK2B Q13554 1/20 0.33
CAMK2G Q13555 1/20 0.33
CAMK2D Q13557 1/20 0.33
PIM3 Q86V86 1/20 0.33
TNF P01375 1/20 0.33
GAA P10253 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7010364 0.93 STAT3 (0.42) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7011160 0.89 STAT3 (0.38) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL6576291 0.88 STAT3 (0.47) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7007241 0.86 STAT3 (0.41) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7008762 0.86 STAT3 (0.41) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7005206 0.83 STAT3 (0.40) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7012204 0.83 ALDH1A1 (0.42) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7004216 0.83 STAT3 (0.46) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7005266 0.83 STAT3 (0.46) STAT3ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL7011775 0.82 STAT3 (0.40) STAT3ALDH1A1HPGDKDM4EHSD17B10

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