SCHEMBL5725218

SCHEMBL5725218

COC(CCn1cc(F)c(=O)[nH]c1=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CYP1A2 P05177 3/20 0.48
KDM4E B2RXH2 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIK5 Q16478 1/20 0.48
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK3 P27361 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
SCHEMBL11300900 0.88 LMNA (0.51) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL23622526 0.82 LMNA (0.51) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL16427338 0.79 LMNA (0.48) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL13199362 0.78 LMNA (0.63) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL3567537 0.78 TNKS (0.41) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL22847567 0.76 LMNA (0.60) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL11093962 0.76 LMNA (0.60) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL28409004 0.75 LMNA (0.59) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL10457377 0.75 KDM4E (0.54) LMNACYP1A2KDM4EGRIA1GRIA2
SCHEMBL3558259 0.75 TK1 (0.35) GRIA2HTTTK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed
EP-1320529-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-06-25 EP disclosed
WO-2002024684-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-03-28 WO disclosed