SCHEMBL8928300

SCHEMBL8928300

O=P(O)(O)C(O)CN1CCN(CC(O)P(=O)(O)O)CCN(CC(O)P(=O)(O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.47
ERAP2 Q6P179 1/20 0.47
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HSD17B10 Q99714 2/20 0.36
FDPS P14324 3/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 2/20 0.34
ATM Q13315 1/20 0.34
PIK3CD O00329 1/20 0.34
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 2/20 0.30
MMP2 P08253 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7045053 0.72 KDM4E (0.41) ANPEPERAP2MAPTPIK3CDKDM4E
SCHEMBL22014101 0.72 KDM4E (0.41) ANPEPERAP2MAPTPIK3CDKDM4E
SCHEMBL8528864 0.69 ANPEP (0.55) ANPEPERAP2KMT2AMEN1HSD17B10
SCHEMBL8597910 0.68 ANPEP (0.61) ANPEPERAP2KMT2AMEN1HSD17B10
SCHEMBL23532238 0.67 MAPT (0.52) ANPEPERAP2KMT2AMEN1HSD17B10
SCHEMBL336769 0.67 MAPT (0.52) ANPEPERAP2KMT2AMEN1HSD17B10
SCHEMBL3966649 0.67 MAPT (0.52) ANPEPERAP2KMT2AMEN1HSD17B10
SCHEMBL8991677 0.67 ANPEP (0.64) ANPEPERAP2KMT2AMEN1HSD17B10
SCHEMBL8675612 0.67 ANPEP (0.64) ANPEPERAP2KMT2AMEN1HSD17B10
SCHEMBL8712070 0.66 ANPEP (0.52) ANPEPERAP2KMT2AMEN1HSD17B10

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
US-5593659-A IN THE FORM OF PHYSIOLOGICALLY ACCEPTABLE SALTS; MEDICAL DIAGNOSIS; WATER SOLUBLE, NONTOXIC CONCAT, LTD. (US) 1997-01-14 US disclosed
EP-0513000-B1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS CONCAT LTD (US) 1996-07-31 EP disclosed
US-5380515-A CONTRAST CONCAT, LTD. (US) 1995-01-10 US disclosed
US-5236695-A Medical diagnosis CONCAT, LTD. (US) 1993-08-17 US disclosed
EP-0513000-A1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS. CONCAT LTD (US) 1992-11-19 EP disclosed
EP-0513000-A4 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS. CONCAT LTD (US) 1992-09-01 EP disclosed
WO-1991007911-A1 MRI IMAGE ENHANCEMENT OF BONE AND RELATED TISSUE USING COMPLEXES OF PARAMAGNETIC CATIONS AND POLYPHOSPHONATE LIGANDS CONCAT LTD. (US) 1991-06-13 WO disclosed