SCHEMBL7012340

SCHEMBL7012340

CCOC(=O)c1cn(-c2cc([N+](=O)[O-])c(F)c(F)c2F)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
POLB P06746 1/20 0.50
NPC1 O15118 1/20 0.50
STAT3 P40763 2/20 0.42
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
CYP2C19 P33261 1/20 0.40
TOP1 P11387 1/20 0.38
HSD17B10 Q99714 2/20 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
SCHEMBL7007378 0.90 ALDH1A1 (0.51) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL7010822 0.89 ALDH1A1 (0.57) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL7004219 0.89 ALDH1A1 (0.51) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL7008108 0.89 ALDH1A1 (0.53) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL7011650 0.86 TOP1 (0.50) ALDH1A1LMNAMAPTPOLBKMT2A
SCHEMBL7008404 0.85 STAT3 (0.45) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL7011336 0.84 ALDH1A1 (0.55) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL7010630 0.83 ALDH1A1 (0.48) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL7004246 0.83 ALDH1A1 (0.48) ALDH1A1LMNAMAPTPOLBNPC1
SCHEMBL7008116 0.79 KDM4E (0.46) ALDH1A1LMNAMAPTPOLBNPC1

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