SCHEMBL7010440

SCHEMBL7010440

O=C(O)c1cn(-c2ccc(F)c([N+](=O)[O-])c2)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 2/20 0.45
PIM1 P11309 3/20 0.44
ALDH1A1 P00352 5/20 0.40
HTT P42858 3/20 0.40
EPHA2 P29317 1/20 0.39
FLT4 P35916 1/20 0.39
GSK3B P49841 1/20 0.39
RARB P10826 1/20 0.39
TBXAS1 P24557 1/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HSP90AA1 P07900 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL7008749 0.89 NPC1 (0.43) TOP1PIM1ALDH1A1HTTPOLB
SCHEMBL27810677 0.86 TOP1 (0.48) TOP1PIM1ALDH1A1HTTEPHA2
SCHEMBL7004200 0.86 TOP1 (0.48) TOP1PIM1ALDH1A1HTTEPHA2
SCHEMBL7008218 0.83 PIM1 (0.46) TOP1PIM1ALDH1A1HTTEPHA2
SCHEMBL9535955 0.83 CAPN1 (0.49) PIM1ALDH1A1HTTEPHA2FLT4
SCHEMBL6211205 0.83 LMNA (0.50) PIM1ALDH1A1HTTEPHA2FLT4
SCHEMBL7011650 0.83 TOP1 (0.50) TOP1PIM1ALDH1A1HTTEPHA2
SCHEMBL7012691 0.82 EPHA2 (0.45) PIM1ALDH1A1HTTEPHA2FLT4
SCHEMBL9045179 0.81 LMNA (0.48) TOP1PIM1ALDH1A1HTTPOLB
SCHEMBL27810661 0.81 PIM1 (0.43) PIM1ALDH1A1HTTEPHA2FLT4

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