SCHEMBL6486472

SCHEMBL6486472

COc1cc(NC(=O)C(=O)NC(C)(C)CN2CCN(C(=O)CC3CCCCC3)CC2)ccc1-c1cnco1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 11/20 0.62
AAK1 Q2M2I8 8/20 0.62
IMPDH1 P20839 4/20 0.59

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
SCHEMBL6485985 0.91 IMPDH2 (0.66) IMPDH2AAK1IMPDH1
SCHEMBL6497496 0.90 IMPDH2 (0.65) IMPDH2AAK1IMPDH1
SCHEMBL6495151 0.90 IMPDH2 (0.65) IMPDH2AAK1IMPDH1
SCHEMBL6487636 0.89 IMPDH2 (0.66) IMPDH2AAK1IMPDH1
SCHEMBL6497741 0.88 IMPDH2 (0.66) IMPDH2AAK1IMPDH1
SCHEMBL6486641 0.88 IMPDH2 (0.68) IMPDH2AAK1IMPDH1
SCHEMBL6495411 0.88 IMPDH2 (0.68) IMPDH2AAK1IMPDH1
SCHEMBL6487332 0.87 IMPDH2 (0.61) IMPDH2AAK1IMPDH1
SCHEMBL6486375 0.87 IMPDH2 (0.69) IMPDH2AAK1IMPDH1
SCHEMBL6487132 0.86 IMPDH2 (0.70) IMPDH2AAK1IMPDH1

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 1 patent. 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