SCHEMBL8166397

SCHEMBL8166397

COP(=O)(O)C(Nc1ncccc1C)P(=O)(O)O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 8/20 0.78
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
GFER P55789 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL8167477 0.88 FDPS (1.00) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL8165471 0.80 FDPS (0.68) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL8166679 0.73 FDPS (0.62) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL8166225 0.72 FDPS (0.78) FDPSNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7790447 0.71 FDPS (0.69) FDPSNPC1RAB9A
SCHEMBL8171356 0.71 FDPS (0.69) FDPSNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL15163986 0.70 FDPS (0.67) FDPS
SCHEMBL19468554 0.70 FDPS (1.00) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL13794372 0.69 FDPS (0.60) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL13562933 0.68 FDPS (0.59) FDPSNPC1RAB9AKDM4EL3MBTL1

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-0563107-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP claimed
EP-0563107-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP claimed
WO-1992011269-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO claimed
EP-0563107-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP disclosed
US-5393748-A Treating bone disorders, Paget* s disease, calcium metabolism disorders LEIRAS OY (FI) 1995-02-28 US disclosed
EP-0563107-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP disclosed
WO-1992011269-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed