SCHEMBL3392576

SCHEMBL3392576

Cc1ncc(C(NCCNC(OP(=O)(O)O)c2cnc(C)c(O)c2C=O)OP(=O)(O)O)c(C=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX2 Q9UBL9 3/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ ACP1 P24666 1/20 0.53
▸ PDE4A P27815 1/20 0.53
▸ P2RX1 P51575 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ AOX1 Q06278 1/20 0.45
▸ TRIM24 O15164 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ PNPO Q9NVS9 1/20 0.36
▸ PDXK O00764 1/20 0.33
▸ P2RX7 Q99572 2/20 0.33
▸ YWHAG P61981 1/20 0.33
▸ YWHAZ P63104 1/20 0.33

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
SCHEMBL2692050 0.80 P2RX2 (0.56) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL3800949 0.79 P2RX2 (0.54) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL9717089 0.74 ESR1 (0.44) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL4576456 0.73 ESR1 (0.52) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL8835556 0.71 KDM4E (0.59) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxal Phosphate Anhydrous SCHEMBL29362986 0.69 P2RX2 (1.00) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxal Phosphate Anhydrous SCHEMBL23158 0.69 P2RX2 (1.00) P2RX2ESR1PTGS1ACP1PDE4A
SCHEMBL17224491 0.69 KDM4E (0.56) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxal Phosphate Anhydrous SCHEMBL20335516 0.69 P2RX2 (0.97) P2RX2ESR1PTGS1ACP1PDE4A
Pyridoxal Phosphate Anhydrous SCHEMBL20335524 0.69 P2RX2 (0.97) P2RX2ESR1PTGS1ACP1PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 — — EP disclosed
EP-1940841-B1 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2016-12-07 — — EP disclosed
EP-1796738-B1 BICYCLAM CONJUGATE FOR MRI AND SCINTIGRAPHY OF DISEASES ASSOCIATED WITH THE CXCR4 RECEPTOR GUERBET SA (FR) 2013-08-07 — — EP disclosed
EP-2396040-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2011-12-21 — — EP disclosed
EP-1635878-B1 PEPTIDE CONJUGATE FOR MAGNETIC RESONANCE IMAGING OF MATRIX METALLOPROTEINASES GUERBET SA (FR) 2010-12-29 — — EP disclosed
WO-2010092114-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2010-08-19 — — WO disclosed
EP-1940841-A2 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET (FR) 2008-07-09 — — EP disclosed
EP-1796738-A2 DIAGNOSTIC COMPOUNDS FOR TARGETING A CHEMOKINE RECEPTOR GUERBET (FR) 2007-06-20 — — EP disclosed
WO-2007042504-A2 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET (FR) 2007-04-19 — — WO disclosed
WO-2006032704-A2 DIAGNOSTIC COMPOUNDS FOR TARGETING A CHEMOKINE RECEPTOR GUERBET (FR) 2006-03-30 — — WO disclosed
EP-1635878-A2 PEPTIDE CONJUGATE FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2006-03-22 — — EP disclosed
WO-2004112840-A2 PEPTIDE CONJUGATE FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2004-12-29 — — WO disclosed
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