SCHEMBL7945367

SCHEMBL7945367

CCc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 1.00
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45
FDFT1 P37268 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
MMP8 P22894 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
SCHEMBL9790749 0.88 FDPS (1.00) FDPSCCNE1CDK2CDK5FDFT1
SCHEMBL7163557 0.85 FDPS (1.00) FDPSCCNE1CDK2CDK5FDFT1
SCHEMBL7164309 0.79 FDPS (1.00) FDPSCA12CA1MMP8
SCHEMBL9790756 0.78 FDPS (0.97) FDPSCA12CA1MMP8
SCHEMBL9790652 0.76 FDPS (1.00) FDPSCCNE1CDK2CDK5FDFT1
SCHEMBL9790803 0.76 FDPS (0.66) FDPSFDFT1MMP8
SCHEMBL12144621 0.73 FDPS (0.58) FDPSCCNE1CDK2CDK5
SCHEMBL6220901 0.72 FDPS (0.56) FDPSCCNE1CDK2CDK5
SCHEMBL23213713 0.71 CCNE1 (0.66) FDPSCCNE1CDK2CDK5
SCHEMBL9790811 0.71 FDPS (0.61) FDPSCCNE1CDK2CDK5MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255288-B1 THERAPY FOR BONE DISORDERS NOVARTIS CORPORATION 2001-07-03 US claimed
EP-0600834-A1 Use of methanebisphosphonic acid derivatives for the manufacture of a medicament for fracture healing CIBA-GEIGY AG (CH) 1994-06-08 EP claimed
EP-0550385-A1 Oral pharmaceutical compositions containing derivatives of methane-diphosphonic acid and 18-crown-6 ethers CIBA-GEIGY AG (CH) 1993-07-07 EP claimed
US-5133972-A TOPICALLY ADMINISTRABLE PHARMACEUTICAL PREPARATIONS CIBA-GEIGY CORPORATION (US) 1992-07-28 US claimed
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US claimed
EP-0407344-A2 Pharmaceutical preparation for topical application CIBA-GEIGY AG (CH) 1991-01-09 EP claimed
US-6255288-B1 THERAPY FOR BONE DISORDERS NOVARTIS CORPORATION 2001-07-03 US disclosed
EP-0600834-A1 Use of methanebisphosphonic acid derivatives for the manufacture of a medicament for fracture healing CIBA-GEIGY AG (CH) 1994-06-08 EP disclosed
US-5296475-A Methanediphosphonic acids and crown compounds for treatment of bone disorders or hypercalcemia CIBA-GEIGY CORPORATION (US) 1994-03-22 US disclosed
EP-0550385-A1 Oral pharmaceutical compositions containing derivatives of methane-diphosphonic acid and 18-crown-6 ethers CIBA-GEIGY AG (CH) 1993-07-07 EP disclosed
US-5133972-A TOPICALLY ADMINISTRABLE PHARMACEUTICAL PREPARATIONS CIBA-GEIGY CORPORATION (US) 1992-07-28 US disclosed
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0407344-A2 Pharmaceutical preparation for topical application CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed