SCHEMBL9790600

SCHEMBL9790600

O=P(O)(O)C(Nc1nncs1)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.54
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CA12 O43570 2/20 0.40
CA9 Q16790 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MMP2 P08253 1/20 0.39
AQP4 P55087 1/20 0.39

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
SCHEMBL7165656 0.70 FDPS (1.00) FDPS
SCHEMBL9790607 0.69 FDPS (0.96) FDPS
SCHEMBL9790635 0.68 FDPS (1.00) FDPSALDH1A1HPGDHSD17B10CA1
SCHEMBL9790646 0.67 FDPS (0.97) FDPSALDH1A1HPGDHSD17B10
SCHEMBL9790593 0.67 FDPS (0.56) FDPSCA1CA12
SCHEMBL9790758 0.67 FDPS (0.54) FDPSCA1CA2CA12CA9
SCHEMBL9790767 0.66 FDPS (0.53) FDPSCA1CA12
SCHEMBL9790803 0.64 FDPS (0.66) FDPS
SCHEMBL7164309 0.64 FDPS (1.00) FDPSCA1CA12
SCHEMBL9790756 0.63 FDPS (0.97) FDPSCA1CA12

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
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US claimed
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
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-0282309-A2 Azole-aminomethylene bisphosphonic acid derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP disclosed
EP-0274346-A1 Substituted aminomethane-diphosphonic acids CIBA-GEIGY AG (CH) 1988-07-13 EP disclosed