SCHEMBL9819343

SCHEMBL9819343

CCCc1cc(NC(P(=O)(O)O)P(=O)(O)O)no1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.49
FDPS P14324 5/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 3/20 0.41
MAPT P10636 1/20 0.41
FDFT1 P37268 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL9819288 0.91 FDPS (0.51) RAB9AFDPSHPGDNPC1SMN1; SMN2
SCHEMBL9819305 0.90 FDPS (0.47) RAB9AFDPSHPGDNPC1SMN1; SMN2
SCHEMBL9819397 0.89 PPARA (0.47) RAB9AFDPSHPGDNPC1SMN1; SMN2
SCHEMBL9819276 0.89 PPARA (0.47) RAB9AFDPSHPGDNPC1SMN1; SMN2
SCHEMBL9819447 0.89 PPARA (0.47) RAB9AFDPSHPGDNPC1SMN1; SMN2
SCHEMBL9819252 0.88 FDPS (0.47) FDPSMAPTFDFT1
SCHEMBL9819301 0.85 FDPS (0.41) RAB9AFDPSHPGDALDH1A1FDFT1
SCHEMBL9819303 0.78 FDPS (0.51) RAB9AFDPSNPC1SMN1; SMN2ALDH1A1
SCHEMBL9790653 0.76 TRPM8 (0.56) RAB9AFDPSNPC1SMN1; SMN2ALDH1A1
SCHEMBL11401437 0.74 FDPS (0.47) RAB9AFDPSNPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282320-B1 BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-12-11 EP disclosed
EP-0282320-A1 Bisphosphonic acid derivatives and medicines containing the same YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP disclosed