SCHEMBL6220575

SCHEMBL6220575

CCCCc1cnc(C(P(=O)(O)O)P(=O)(O)O)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.60
SRC P12931 2/20 0.40
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CDK5 Q00535 1/20 0.37
GGPS1 O95749 2/20 0.33
FBP1 P09467 2/20 0.33
ENPP2 Q13822 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32

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
SCHEMBL6220901 0.84 FDPS (0.56) FDPSSRCCCNE1CDK2CDK5
SCHEMBL2821633 0.77 FDPS (0.47) FDPSSRCCCNE1CDK2CDK5
SCHEMBL7163557 0.75 FDPS (1.00) FDPSSRCCCNE1CDK2CDK5
SCHEMBL6221260 0.72 FDPS (0.53) FDPSMEN1PKMKMT2A
SCHEMBL15000516 0.71 FDPS (0.41) FDPSSRCCCNE1CDK2CDK5
SCHEMBL25693905 0.71 FDPS (0.41) FDPSSRCCCNE1CDK2CDK5
SCHEMBL14045404 0.71 FDPS (0.50) FDPSCCNE1CDK2CDK5MEN1
SCHEMBL6222760 0.70 FDPS (0.38) FDPSGGPS1FBP1ENPP2MEN1
SCHEMBL5875757 0.68 FDPS (0.48) FDPSCCNE1CDK2CDK5KDM4E
SCHEMBL2823210 0.68 FDPS (0.46) FDPSCCNE1CDK2CDK5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854724-B1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 2005-03-16 EP claimed
US-6057306-A ADMINISTERING BISPHOSPHONATES TO TREAT BONE DISEASE NOVARTIS CORPORATION (US) 2000-05-02 US claimed
EP-0854724-A1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES Novartis AG (CH) 1998-07-29 EP claimed
WO-1997012619-A1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 1997-04-10 WO claimed
EP-0854724-B1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 2005-03-16 EP disclosed
US-6057306-A ADMINISTERING BISPHOSPHONATES TO TREAT BONE DISEASE NOVARTIS CORPORATION (US) 2000-05-02 US disclosed
EP-0854724-A1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES Novartis AG (CH) 1998-07-29 EP disclosed
WO-1997012619-A1 METHOD OF TREATING THE NAVICULAR DISEASE IN HORSES NOVARTIS AG (CH) 1997-04-10 WO disclosed