SCHEMBL6580577

SCHEMBL6580577

CCOC(=O)c1cn(-c2cc([N+](=O)[O-])c(F)cc2C)c2c(C)c(F)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.52
ALDH1A1 P00352 5/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.45
POLB P06746 2/20 0.45
TOP1 P11387 1/20 0.43
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
PIM1 P11309 1/20 0.40
IRAK1 P51617 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
PIM3 Q86V86 1/20 0.40
ROCK2 O75116 1/20 0.39
CDK1 P06493 1/20 0.39

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
SCHEMBL7008542 0.93 STAT3 (0.51) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL7005345 0.92 STAT3 (0.47) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL6581474 0.91 STAT3 (0.51) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL20912560 0.88 STAT3 (0.48) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL7008215 0.88 STAT3 (0.60) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL7008195 0.86 STAT3 (0.52) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL7006908 0.85 NPC1 (0.52) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL7007126 0.84 STAT3 (0.49) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL7008554 0.84 STAT3 (0.49) STAT3ALDH1A1MAPTLMNANPC1
SCHEMBL20912596 0.82 STAT3 (0.45) STAT3ALDH1A1MAPTLMNANPC1

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-0897919-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2004-06-16 EP disclosed
US-6211375-B1 IMPROVED INTESTINAL ABSORPTION WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0897919-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND ANTIBACTERIAL AGENTS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-02-24 EP disclosed