SCHEMBL6484832

SCHEMBL6484832

COc1cc(NC(=O)C(=O)NC(C)(C)Cc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)ccc1-c1cnco1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 19/20 0.75
IMPDH1 P20839 5/20 0.60
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
PKM P14618 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6494063 0.90 IMPDH2 (0.70) IMPDH2IMPDH1
SCHEMBL6486092 0.88 IMPDH2 (0.69) IMPDH2IMPDH1
SCHEMBL6497163 0.88 IMPDH2 (0.69) IMPDH2IMPDH1
SCHEMBL6488361 0.88 IMPDH2 (0.69) IMPDH2IMPDH1
SCHEMBL6494793 0.88 IMPDH2 (0.69) IMPDH2IMPDH1
SCHEMBL6486796 0.87 IMPDH2 (0.68) IMPDH2IMPDH1
SCHEMBL6486585 0.87 IMPDH2 (0.68) IMPDH2IMPDH1
SCHEMBL6487268 0.87 IMPDH2 (0.72) IMPDH2IMPDH1
SCHEMBL6484504 0.87 IMPDH2 (0.70) IMPDH2IMPDH1
SCHEMBL1473826 0.86 IMPDH2 (1.00) IMPDH2NPC1TP53PKMRAB9A

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