SCHEMBL9790646

SCHEMBL9790646

Cc1csc(NC(P(=O)(O)O)P(=O)(O)O)n1.[NaH].[NaH]

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.97
MAPT P10636 2/20 0.49
FDFT1 P37268 1/20 0.47
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
HPGD P15428 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RCE1 Q9Y256 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL9790635 0.98 FDPS (1.00) FDPSMAPTFDFT1NPC1RAB9A
SCHEMBL9790662 0.88 FDPS (0.80) FDPSMAPTFDFT1NPC1RAB9A
SCHEMBL9790685 0.75 FDPS (0.61) FDPSMAPTNPC1RAB9AHPGD
SCHEMBL9790564 0.74 FDPS (0.56) FDPSMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13351522 0.73 FDPS (0.59) FDPSMAPTNPC1RAB9AHPGD
SCHEMBL2777930 0.72 FDPS (0.58) FDPSMAPTNPC1RAB9AHPGD
SCHEMBL9790602 0.72 FDPS (0.57) FDPSMAPTNPC1RAB9ASMN1; SMN2
Phosphonic Acid SCHEMBL9790670 0.72 FDPS (0.54) FDPSMAPTNPC1RAB9AHPGD
SCHEMBL9790756 0.70 FDPS (0.97) FDPSNPC1RAB9ASMN1; SMN2
SCHEMBL9790607 0.69 FDPS (0.96) FDPSNPC1RAB9ASMN1; SMN2L3MBTL1

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 1 patent. 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