SCHEMBL5867301

SCHEMBL5867301

COc1cc(NC(=O)C(=O)NC(C)(C)C(=O)OC(C)(C)C)ccc1C1=CCOC=C1C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.50
IMPDH1 P20839 12/20 0.46
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5867262 0.93 IMPDH2 (0.57) IMPDH2IMPDH1ALDH1A1GAAALOX5
SCHEMBL5867263 0.88 IMPDH2 (0.60) IMPDH2IMPDH1
SCHEMBL5867205 0.87 IMPDH2 (0.46) IMPDH2IMPDH1ALDH1A1GAAMEN1
SCHEMBL5867244 0.85 IMPDH2 (0.49) IMPDH2IMPDH1KMT2A
SCHEMBL5867204 0.84 IMPDH2 (0.48) IMPDH2IMPDH1
SCHEMBL5867270 0.84 IMPDH2 (0.43) IMPDH2IMPDH1
SCHEMBL5867197 0.83 IMPDH2 (0.47) IMPDH2IMPDH1
SCHEMBL5867216 0.83 IMPDH2 (0.45) IMPDH2IMPDH1
SCHEMBL5867267 0.83 IMPDH2 (0.43) IMPDH2IMPDH1
SCHEMBL5867282 0.81 IMPDH2 (0.45) 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-7060720-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB CO. (US) 2006-06-13 US disclosed