SCHEMBL5867309

SCHEMBL5867309

COc1cc(NC(=O)C(=O)NC(C)(C)C(=O)NCCc2c[nH]cn2)ccc1C1=CC=C(C)OC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.42
IMPDH1 P20839 12/20 0.42
POLB P06746 2/20 0.34
LMNA P02545 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
SCHEMBL5867310 0.85 IMPDH2 (0.41) IMPDH2IMPDH1POLBLMNA
SCHEMBL5867266 0.85 IMPDH2 (0.45) IMPDH2IMPDH1POLB
SCHEMBL5867265 0.84 IMPDH2 (0.44) IMPDH2IMPDH1POLBLMNA
SCHEMBL5867214 0.84 IMPDH2 (0.45) IMPDH2IMPDH1
SCHEMBL5867250 0.81 QPCT (0.45) IMPDH2IMPDH1
SCHEMBL1474061 0.81 IMPDH2 (0.64) IMPDH2IMPDH1
SCHEMBL5867257 0.79 IMPDH2 (0.58) IMPDH2IMPDH1
SCHEMBL5867258 0.78 IMPDH2 (0.60) IMPDH2IMPDH1
SCHEMBL5867202 0.77 IMPDH2 (0.48) IMPDH2IMPDH1
SCHEMBL5867299 0.77 IMPDH2 (0.51) 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