SCHEMBL4633843

SCHEMBL4633843

O=C(CN(OCc1ccccc1)C1CCCC1)OP(=O)(O)Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.36
AGER Q15109 3/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACE2 Q9BYF1 2/20 0.35
PDPK1 O15530 1/20 0.35

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
SCHEMBL4277278 0.86 ENPP2 (0.34) ENPP2AGERTSHRMEN1ALDH1A1
SCHEMBL22321972 0.76 TSHR (0.41) TSHRALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL4268901 0.76 ENPP2 (0.37) ENPP2AGERTSHRMEN1ALDH1A1
SCHEMBL4633331 0.76 ENPP2 (0.37) ENPP2AGERTSHRMEN1ALDH1A1
SCHEMBL10004616 0.70 NPC1 (0.43) TSHRALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL4271373 0.66 NPC1 (0.46) TSHRALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL4633319 0.65 SLC6A2 (0.39) TSHRMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL4276273 0.65 SLC6A2 (0.39) TSHRMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL5435739 0.65 L3MBTL1 (0.52) ENPP2TSHRKMT2AL3MBTL1NPSR1
SCHEMBL10004685 0.65 ALDH1A1 (0.40) TSHRALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928475-B1 ANTIVIRAL PHOSPHORAMIDATES OF 4'-C-AZIDO-SUBSTITUTED PRONUCLEOTIDES RIBOSCIENCE LLC (US) 2018-05-23 EP disclosed
EP-1928475-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4'-SUBSTITUTED PRONUCLEOTIDES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-11 EP disclosed
WO-2007020193-A2 ANTIVIRAL PHOSPHORAMIDATES OF 4 ' -SUBSTITUTED PRONUCLEOTIDES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed