SCHEMBL7007646

SCHEMBL7007646

CCOC(=O)c1cn(-c2cc([N+](=O)[O-])c(F)cc2Cl)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 1/20 0.60
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.57
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
STAT3 P40763 2/20 0.44
ROCK2 O75116 1/20 0.41
CDK1 P06493 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3A P49840 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCD Q05655 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPA Q5VT25 1/20 0.41

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
SCHEMBL7012840 0.91 ALDH1A1 (0.55) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7011336 0.87 ALDH1A1 (0.55) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL6581474 0.86 STAT3 (0.51) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7008108 0.86 ALDH1A1 (0.53) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7006908 0.86 NPC1 (0.52) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL19729388 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7008142 0.84 KMT2A (0.53) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7005414 0.81 KMT2A (0.54) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7008195 0.80 STAT3 (0.52) ALDH1A1LMNAMAPTNPC1POLB
SCHEMBL7007378 0.80 ALDH1A1 (0.51) ALDH1A1LMNAMAPTNPC1POLB

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