SCHEMBL7008542

SCHEMBL7008542

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.51
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.48
TOP1 P11387 1/20 0.45
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
PIM1 P11309 1/20 0.39
IRAK1 P51617 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
PIM3 Q86V86 1/20 0.39
CYP2C19 P33261 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL7008195 0.94 STAT3 (0.52) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL7006908 0.93 NPC1 (0.52) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL6580577 0.93 STAT3 (0.52) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL7008554 0.91 STAT3 (0.49) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL7007126 0.91 STAT3 (0.49) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL7008567 0.89 NPC1 (0.56) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL19728743 0.88 STAT3 (0.47) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL6581474 0.88 STAT3 (0.51) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL7005345 0.86 STAT3 (0.47) STAT3NPC1ALDH1A1LMNAMAPT
SCHEMBL7008215 0.86 STAT3 (0.60) STAT3NPC1ALDH1A1LMNAMAPT

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-0787720-B1 PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KK (JP) 2003-07-16 EP disclosed
US-5910498-A NOVEL COMPOUNDS HAVING REDUCED CYTOTOXICITY, PHOTOTOXICITY; TREATING BACTERIAL AND VIRAL INFECTIONS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-06-08 US disclosed
EP-0787720-A1 NOVEL PYRIDONECARBOXYLATE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME AS ACTIVE INGREDIENT WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-06 EP disclosed