SCHEMBL5867216

SCHEMBL5867216

COCCNC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(C2=CCOC=C2C)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 17/20 0.45
IMPDH1 P20839 12/20 0.42
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5867270 0.92 IMPDH2 (0.43) IMPDH2IMPDH1POLB
SCHEMBL5867267 0.92 IMPDH2 (0.43) IMPDH2IMPDH1POLBTHRB
SCHEMBL5867262 0.86 IMPDH2 (0.57) IMPDH2IMPDH1
SCHEMBL5867252 0.85 QPCT (0.46) IMPDH2IMPDH1POLBNPC1
SCHEMBL5867310 0.85 IMPDH2 (0.41) IMPDH2IMPDH1POLBTHRB
SCHEMBL5867263 0.85 IMPDH2 (0.60) IMPDH2IMPDH1
SCHEMBL5867301 0.83 IMPDH2 (0.50) IMPDH2IMPDH1
SCHEMBL5867205 0.83 IMPDH2 (0.46) IMPDH2IMPDH1
SCHEMBL5867244 0.83 IMPDH2 (0.49) IMPDH2IMPDH1
SCHEMBL5867204 0.82 IMPDH2 (0.48) IMPDH2IMPDH1POLB

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