SCHEMBL7008718

SCHEMBL7008718

Nc1cc(-n2cc(C(=O)O)c(=O)c3ccc(N4CC[C@H](N)C4)nc32)c(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
TOP2A P11388 14/20 0.51
TOP2B Q02880 10/20 0.51
TOP1 P11387 3/20 0.51
EPHA2 P29317 1/20 0.47
FLT4 P35916 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL7006572 0.93 KMT2A (0.53) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL7007019 0.86 KMT2A (0.77) KMT2ATOP2ATOP2BTOP1EPHA2
Hydrochloric Acid SCHEMBL7007433 0.86 KMT2A (0.76) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL7008063 0.83 KMT2A (0.69) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL8482062 0.81 TOP1 (0.59) KMT2ATOP2ATOP2BTOP1GSK3B
SCHEMBL7009374 0.81 TOP1 (0.59) KMT2ATOP2ATOP2BTOP1GSK3B
SCHEMBL7013040 0.81 KMT2A (0.69) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL18313674 0.81 KMT2A (0.66) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL21440681 0.81 KMT2A (0.66) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL18313209 0.81 KMT2A (0.66) KMT2ATOP2ATOP2BTOP1EPHA2

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