SCHEMBL4184440

SCHEMBL4184440

NCCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 4/20 0.68
DNMT3B Q9UBC3 2/20 0.68
PRMT7 Q9NVM4 1/20 0.68
SRM P19623 1/20 0.68
SMS P52788 1/20 0.68
DPP4 P27487 1/20 0.67
MEN1 O00255 1/20 0.67
SLC28A1 O00337 1/20 0.67
MAP3K7 O43318 1/20 0.67
SLC28A2 O43868 1/20 0.67
GAPDH P04406 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
MAPK1 P28482 1/20 0.67
ADORA2A P29274 1/20 0.67
ADORA2B P29275 1/20 0.67
ADORA1 P30542 1/20 0.67
STAT6 P42226 1/20 0.67
PI4KA P42356 1/20 0.67
KMT2A Q03164 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL996891 1.00 DOT1L (0.68) DOT1LDNMT3BPRMT7SRMSMS
SCHEMBL30760710 0.98 SRM (0.71) DOT1LDNMT3BPRMT7SRMSMS
SCHEMBL5007882 0.95 SRM (0.67) DOT1LDNMT3BPRMT7SRMSMS
SCHEMBL28374784 0.91 EHMT1 (0.74) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL13667507 0.91 EHMT1 (0.74) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL13986406 0.89 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL7062240 0.89 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL7062257 0.89 ADORA3 (0.73) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL17568775 0.88 EHMT1 (0.70) DOT1LDPP4MEN1SLC28A1MAP3K7
SCHEMBL15984531 0.88 EHMT1 (0.70) DOT1LDPP4MEN1SLC28A1MAP3K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357881-A4 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK PHARMACEUTICALS INC (US) 2009-02-18 EP claimed
US-20040229886-A1 Inhibitors of spermidine synthase for the treatment of osteoarthritis and cartilage rehabilitation QUARK BIOTECH, INC. & SHIONOGI CO., LTD. 2004-11-18 US claimed
US-6696454-B2 ADMINISTERING AN INHIBITOR OF SPERMIDINE BIOSYNTHESIS; PREFERRED ARE DCHA (DICYCLOHEXYLAMINE), ADODATO, AND TRANS-4-METHYLCYCLOHEXYLAMINE (4MCHA) QUARK BIOTECH, INC. 2004-02-24 US claimed
EP-1357881-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION Quark Biotech, Inc. (US) 2003-11-05 EP claimed
US-20020160978-A1 Inhibitors of spermidine synthase for the treatment of osteoarthritis and cartilage rehabilitation QUARK PHARMACEUTICALS, INC. 2002-10-31 US claimed
WO-2002058623-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK BIOTECH, INC. (US) 2002-08-01 WO claimed
EP-1357881-A4 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK PHARMACEUTICALS INC (US) 2009-02-18 EP disclosed
US-6696454-B2 ADMINISTERING AN INHIBITOR OF SPERMIDINE BIOSYNTHESIS; PREFERRED ARE DCHA (DICYCLOHEXYLAMINE), ADODATO, AND TRANS-4-METHYLCYCLOHEXYLAMINE (4MCHA) QUARK BIOTECH, INC. 2004-02-24 US disclosed
EP-1357881-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION Quark Biotech, Inc. (US) 2003-11-05 EP disclosed
US-20020160978-A1 Inhibitors of spermidine synthase for the treatment of osteoarthritis and cartilage rehabilitation QUARK PHARMACEUTICALS, INC. 2002-10-31 US disclosed
WO-2002058623-A2 INHIBITORS OF SPERMIDINE SYNTHASE FOR THE TREATMENT OF OSTEOARTHRITIS AND CARTILAGE REHABILITATION QUARK BIOTECH, INC. (US) 2002-08-01 WO disclosed