SCHEMBL9284646

SCHEMBL9284646

O=P(O)(O)C(Nc1cc[nH]n1)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.50
FDFT1 P37268 3/20 0.47
CA12 O43570 5/20 0.44
CA9 Q16790 2/20 0.44
MMP2 P08253 4/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 1/20 0.43
MMP8 P22894 3/20 0.42
MMP14 P50281 2/20 0.42
MMP9 P14780 1/20 0.42
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL3201962 0.75
SCHEMBL2744048 0.70
SCHEMBL6570471 0.69 SCN9A (0.38) CA12CA9CA1CA2CA14
SCHEMBL7059355 0.69 SCN9A (0.38) CA12CA9CA1CA2CA14
SCHEMBL7281508 0.68 SCN9A (0.39)
SCHEMBL9790582 0.68 FDPS (0.53) FDPSFDFT1CA12CA1MMP8
SCHEMBL9790836 0.67 FDPS (0.50) FDPSFDFT1CA12CA9MMP2
SCHEMBL7487716 0.67
SCHEMBL17187256 0.67 FDPS (0.46) FDPSFDFT1CA12CA9MMP2
SCHEMBL5156538 0.67 FDPS (1.00) FDPSFDFT1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274346-B1 SUBSTITUTED AMINOMETHANE-DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
EP-0274346-A1 Substituted aminomethane-diphosphonic acids CIBA-GEIGY AG (CH) 1988-07-13 EP claimed
EP-0537008-B1 Use of biphosphonates for the manufacture of a medicament for blocking neoplastic transformation of cells induced by ras oncogenes SQUIBB & SONS INC (US) 1995-10-25 EP disclosed
EP-0537008-A1 Use of biphosphonates for the manufacture of a medicament for blocking neoplastic transformation of cells induced by ras oncogenes E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed
EP-0513760-A2 Use of biphosphonate squalene synthetase inhibitors in pharmaceutical compositions useful in lowering cholesterol E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0274346-A1 Substituted aminomethane-diphosphonic acids CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed