SCHEMBL7010692

SCHEMBL7010692

CCOC(=O)Nc1cc(-n2cc(C(=O)OCC)c(=O)c3c(OCc4ccccc4)c(F)c(F)cc32)c(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
IRAK1 P51617 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40
PIM3 Q86V86 1/20 0.40
HTT P42858 2/20 0.40
STAT3 P40763 3/20 0.38
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
PPIA P62937 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BRD4 O60885 1/20 0.35
GNRHR P30968 2/20 0.35
TSHR P16473 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL7005460 0.89 PIM1 (0.41) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL7012730 0.87 HTT (0.47) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL9044625 0.78 HTT (0.41) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL7008093 0.77 STAT3 (0.48) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL7005366 0.76 HTT (0.40) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL7014972 0.76 STAT3 (0.41) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL7007313 0.76 TSHR (0.47) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL7004207 0.75 STAT3 (0.43) PIM1IRAK1CAMK2BCAMK2GCAMK2D
SCHEMBL9268553 0.75 MAOB (0.41) HTTSTAT3MAOBMEN1HSP90AA1
SCHEMBL8102928 0.70 HTT (0.50) PIM1IRAK1CAMK2BCAMK2GCAMK2D

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