SCHEMBL9790754

SCHEMBL9790754

O=P(O)(O)C(Nc1nnn[nH]1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.47
CA12 O43570 5/20 0.37
CA9 Q16790 1/20 0.37
MMP2 P08253 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
MMP8 P22894 2/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
FDFT1 P37268 3/20 0.34

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
SCHEMBL5827532 0.68 HPGD (0.32)
SCHEMBL12057465 0.64 MDM2 (0.33)
SCHEMBL9790599 0.64 FDPS (1.00) FDPSCA12CA9MMP2CA1
SCHEMBL12892192 0.61 KDM4E (0.46)
SCHEMBL3261245 0.61
Phosphoric Acid SCHEMBL3485505 0.60
SCHEMBL1078703 0.59 LAP3 (0.42)
SCHEMBL1480730 0.59 KDM4E (0.39)
Hydrochloric Acid SCHEMBL15558731 0.58
SCHEMBL9364504 0.58 ADORA1 (0.35)

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
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0274346-B1 SUBSTITUTED AMINOMETHANE-DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
EP-0274346-A1 Substituted aminomethane-diphosphonic acids CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed