SCHEMBL7790648

SCHEMBL7790648

CCOP(=O)(OCC)C(Nc1ccc([N+](=O)[O-])cn1)P(=O)(OCC)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
LMNA P02545 1/20 0.45
PABPC1 P11940 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL7794298 0.80 FDPS (0.60) NPC1RAB9AMAPTKDM4EL3MBTL1
SCHEMBL9223520 0.80 KDM4E (0.44) KDM4EL3MBTL1POLBCA1CA2
SCHEMBL7793195 0.80 KDM4E (0.44) KDM4EPOLB
SCHEMBL7784723 0.79 CA12 (0.60) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7793579 0.78 KDM4E (0.43) KMT2ANPC1RAB9AKDM4EGAA
SCHEMBL2791677 0.76 HCAR3 (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL13229215 0.76 HCAR3 (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL30716729 0.75 ALDH1A1 (0.60) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3018141 0.75 ALDH1A1 (0.60) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL27943386 0.75 GAA (0.56) KMT2AMEN1NPC1RAB9AMAPT

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-B1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 2001-11-14 EP claimed
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
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-0642521-A1 THIO-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 EP disclosed
WO-1993024500-A1 THIO-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM THE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed