SCHEMBL7013972

SCHEMBL7013972

Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)nc32)c(F)cc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.74
EPHA2 P29317 1/20 0.56
FLT4 P35916 1/20 0.56
GSK3B P49841 1/20 0.56
RARB P10826 1/20 0.56
TBXAS1 P24557 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ALDH1A1 P00352 2/20 0.52
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
XBP1 P17861 1/20 0.52
NFKB1 P19838 1/20 0.52
HTT P42858 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL7012833 0.93 KMT2A (0.71) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7007019 0.92 KMT2A (0.77) KMT2AEPHA2FLT4GSK3BRARB
Hydrochloric Acid SCHEMBL7007433 0.91 KMT2A (0.76) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7010556 0.88 KMT2A (0.73) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7008063 0.87 KMT2A (0.69) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7013040 0.86 KMT2A (0.69) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7013070 0.86 KMT2A (0.60) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL34355 0.85 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
Tosufloxacin SCHEMBL34354 0.85 KMT2A (1.00) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL8479780 0.85 LMNA (0.61) KMT2AEPHA2FLT4GSK3BRARB

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