SCHEMBL7009252

SCHEMBL7009252

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.40
HTT P42858 1/20 0.38
ALDH1A1 P00352 6/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 2/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
ADRB2 P07550 1/20 0.34
PIM1 P11309 2/20 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
KMT2A Q03164 1/20 0.33
GALR2 O43603 1/20 0.33
MITF O75030 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
SCHEMBL7005206 0.90 STAT3 (0.40) STAT3HTTALDH1A1LMNAMAPT
SCHEMBL7012204 0.88 ALDH1A1 (0.42) STAT3HTTALDH1A1LMNAMAPT
SCHEMBL7011160 0.87 STAT3 (0.38) STAT3HTTALDH1A1LMNAMAPT
SCHEMBL6578653 0.86 HTT (0.41) STAT3HTTALDH1A1LMNAMAPT
SCHEMBL6576291 0.85 STAT3 (0.47) STAT3HTTALDH1A1MAPTPOLB
SCHEMBL7004216 0.83 STAT3 (0.46) STAT3HTTALDH1A1LMNAMAPT
SCHEMBL7005266 0.83 STAT3 (0.46) STAT3HTTALDH1A1LMNAMAPT
SCHEMBL7013816 0.82 KMT2A (0.43) STAT3HTTALDH1A1LMNAMAPT
SCHEMBL7007241 0.82 STAT3 (0.41) STAT3HTTALDH1A1LMNAMAPT
SCHEMBL7010364 0.82 STAT3 (0.42) STAT3HTTALDH1A1MAPTPOLB

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