SCHEMBL4565498

SCHEMBL4565498

C/C=C\c1nn(CC(C)C(C)C)c(=O)c(C#N)c1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
KDM5A P29375 1/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4125708 0.78
SCHEMBL4125701 0.78
SCHEMBL4140290 0.62
SCHEMBL4142975 0.60 ADORA1 (0.40) KDM4EMAPTMEN1THRBKMT2A
SCHEMBL4143721 0.59 GRM2 (0.38) KDM4EMAPTMEN1THRBKMT2A
SCHEMBL4147195 0.55
SCHEMBL16331703 0.54 GRM2 (0.43) KDM4EMAPTMEN1THRBKMT2A
SCHEMBL13142993 0.54 KDM4E (0.68) KDM4EMAPTMEN1THRBKMT2A
SCHEMBL4136463 0.53 GAA (0.30) MAPTMEN1KMT2A
SCHEMBL17009473 0.53 KDM4E (0.78) KDM4EMAPTMEN1THRBKMT2A

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
WO-2009032179-A1 PHOSPHADIAZINE HCV POLYMERASE INHIBITORS III AND VI IDENIX PHARMACEUTICALS, INC. (US) 2009-03-12 WO disclosed