SCHEMBL7008445

SCHEMBL7008445

CNc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC[C@H](N)C4)cc32)c(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 4/20 0.56
KMT2A Q03164 2/20 0.54
PRKD3 O94806 1/20 0.51
PIM1 P11309 1/20 0.51
GSK3A P49840 1/20 0.51
GSK3B P49841 1/20 0.51
IRAK1 P51617 1/20 0.51
RPS6KA3 P51812 1/20 0.51
DYRK1A Q13627 1/20 0.51
PIM3 Q86V86 1/20 0.51
CSNK1G3 Q9Y6M4 1/20 0.51
TOP2A P11388 10/20 0.49
LMNA P02545 3/20 0.49
MEN1 O00255 1/20 0.49
TOP2B Q02880 7/20 0.48
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRM1 P35372 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
SCHEMBL8479439 1.00 TOP1 (0.56) TOP1KMT2APRKD3PIM1GSK3A
SCHEMBL7009374 0.87 TOP1 (0.59) TOP1KMT2APRKD3PIM1GSK3A
SCHEMBL8482062 0.87 TOP1 (0.59) TOP1KMT2APRKD3PIM1GSK3A
SCHEMBL7008758 0.85 KMT2A (0.75) TOP1KMT2AGSK3BTOP2ALMNA
SCHEMBL8919113 0.85 KMT2A (0.73) TOP1KMT2APRKD3PIM1GSK3A
Hydrochloric Acid SCHEMBL9045570 0.84 KMT2A (0.71) TOP1KMT2APRKD3PIM1GSK3A
SCHEMBL10899066 0.83 TOP1 (0.61) TOP1KMT2APRKD3PIM1GSK3A
SCHEMBL7006407 0.82 LMNA (0.47) TOP1KMT2ATOP2ALMNAMEN1
SCHEMBL10530660 0.82 TOP1 (0.68) TOP1KMT2ATOP2ALMNAMEN1
SCHEMBL7006703 0.82 TOP1 (0.58) TOP1KMT2APRKD3PIM1GSK3A

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