SCHEMBL7793613

SCHEMBL7793613

CCOP(=O)(OCC)C(Nc1ccc(Cl)nc1)P(=O)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CA12 O43570 4/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CA9 Q16790 4/20 0.43
KCNQ3 O43525 4/20 0.42
KCNQ2 O43526 4/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
FDFT1 P37268 1/20 0.39
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 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
SCHEMBL7793634 0.83 FDFT1 (0.42) L3MBTL1KDM4ECA12CA1CA2
SCHEMBL7784734 0.82 KMT2A (0.45) KDM4EMAPTPOLBFDFT1LMNA
SCHEMBL8410675 0.76 FFAR1 (0.46) KDM4EPOLBMEN1KMT2A
SCHEMBL5366533 0.75 FDPS (0.59) MAPTPOLBLMNAALDH1A1
SCHEMBL7794868 0.75 FDFT1 (0.66) CA12CA1CA2CA9KCNQ3
SCHEMBL7794298 0.74 FDPS (0.60) L3MBTL1KDM4EMAPTFDFT1LMNA
SCHEMBL7793582 0.74 KDM4E (0.43) L3MBTL1KDM4ECA12CA1CA2
SCHEMBL5363659 0.74 RAB9A (0.49) L3MBTL1KDM4EMAPTPOLBLMNA
SCHEMBL31165568 0.72 DGAT1 (0.42) KDM4EKCNQ3KCNQ2MAPTPOLB
SCHEMBL7784779 0.70 CRHR1 (0.43) L3MBTL1MAPTPOLBLMNAMEN1

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-0762883-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1997-03-19 EP claimed
WO-1995033466-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1995-12-14 WO claimed
EP-0762883-B1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 2001-11-14 EP disclosed
US-6083938-A TREATING BONE DISEASES SELECTED FROM THE GROUP CONSISTING OF OSTEOLYTIC BONE DISEASES DUE TO MALIGNANCY, PAGET'S DISEASE AND PRIMARY AND SECONDARY OSTEOPOROSIS LEIRAS OY (FI) 2000-07-04 US disclosed
US-5866556-A BONE DISORDERS LEIRAS OY (FI) 1999-02-02 US disclosed
EP-0762883-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1997-03-19 EP disclosed
WO-1995033466-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1995-12-14 WO disclosed