SCHEMBL7012204

SCHEMBL7012204

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 3/20 0.41
STAT3 P40763 2/20 0.40
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
XBP1 P17861 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TOP1 P11387 1/20 0.34
KMT2A Q03164 3/20 0.34
ADRB2 P07550 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
SCHEMBL7005206 0.91 STAT3 (0.40) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL6576291 0.90 STAT3 (0.47) ALDH1A1MAPTPOLBSTAT3HPGD
SCHEMBL7009252 0.88 STAT3 (0.40) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7011160 0.88 STAT3 (0.38) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL6578653 0.87 HTT (0.41) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7010364 0.85 STAT3 (0.42) ALDH1A1MAPTPOLBSTAT3HPGD
SCHEMBL6581466 0.84 STAT3 (0.44) ALDH1A1STAT3HPGDHTTKDM4E
SCHEMBL7004216 0.84 STAT3 (0.46) ALDH1A1LMNAMAPTPOLBSTAT3
SCHEMBL7005266 0.84 STAT3 (0.46) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7004765 0.83 STAT3 (0.39) ALDH1A1MAPTSTAT3HPGDNPSR1

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