SCHEMBL6485898

SCHEMBL6485898

COc1cc(NC(=O)C(=O)NC(C)(C)CNC(=O)CC(C)(C)C)ccc1-c1cnco1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 16/20 0.76
IMPDH1 P20839 6/20 0.72
AAK1 Q2M2I8 5/20 0.59
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58

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
SCHEMBL6498795 0.90 IMPDH2 (0.80) IMPDH2IMPDH1AAK1
SCHEMBL1473481 0.89 IMPDH2 (0.82) IMPDH2IMPDH1AAK1
SCHEMBL1474040 0.88 IMPDH2 (0.83) IMPDH2IMPDH1AAK1
SCHEMBL1474188 0.87 IMPDH2 (0.85) IMPDH2IMPDH1AAK1
SCHEMBL1473286 0.87 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL15741805 0.86 IMPDH2 (0.73) IMPDH2IMPDH1AAK1HDAC3HDAC4
SCHEMBL6495844 0.86 IMPDH2 (0.83) IMPDH2IMPDH1AAK1
SCHEMBL1473222 0.85 IMPDH2 (0.89) IMPDH2IMPDH1AAK1
SCHEMBL6486945 0.85 IMPDH2 (0.73) IMPDH2IMPDH1AAK1
SCHEMBL6498962 0.85 IMPDH2 (0.85) IMPDH2IMPDH1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed
EP-1127883-A2 Oxamides as IMPDH inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP disclosed