SCHEMBL6499204

SCHEMBL6499204

COc1cc(NC(=O)C(=O)NC(C)(C)CN2CCN(S(=O)(=O)C=Cc3ccccc3)CC2)ccc1-c1cnco1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 20/20 0.60
IMPDH1 P20839 6/20 0.57

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
SCHEMBL6499201 1.00 IMPDH2 (0.60) IMPDH2IMPDH1
SCHEMBL6485393 0.88 IMPDH2 (0.64) IMPDH2IMPDH1
SCHEMBL6485456 0.87 IMPDH2 (0.69) IMPDH2IMPDH1
SCHEMBL6487022 0.85 IMPDH2 (0.61) IMPDH2IMPDH1
SCHEMBL6487976 0.85 IMPDH2 (0.62) IMPDH2IMPDH1
SCHEMBL6528835 0.85 IMPDH2 (0.66) IMPDH2IMPDH1
SCHEMBL6494128 0.84 IMPDH2 (0.68) IMPDH2IMPDH1
SCHEMBL6483734 0.84 IMPDH2 (0.68) IMPDH2IMPDH1
SCHEMBL6487345 0.84 IMPDH2 (0.62) IMPDH2IMPDH1
SCHEMBL6489671 0.84 IMPDH2 (0.65) IMPDH2IMPDH1

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