SCHEMBL4751237

SCHEMBL4751237

Cc1cc(Oc2c(CO)nn(CS(C)(=O)=O)c2C(C)C)cc(C)c1C#N

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
PGR P06401 1/20 0.30
SLC22A12 Q96S37 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL14022483 0.82 PGR (0.41) KDM4EMEN1KMT2APGR
SCHEMBL4788735 0.82 PGR (0.32) KDM4EMEN1MAPTTHRBKMT2A
SCHEMBL4748730 0.81 PGR (0.38) KDM4EMEN1KMT2APGR
SCHEMBL4654589 0.77 PGR (0.41) KDM4EMEN1MAPTKMT2APGR
SCHEMBL4752246 0.77 PGR (0.38) KDM4EMEN1MAPTTHRBKMT2A
SCHEMBL4608810 0.76 PGR (0.34) KDM4EMEN1MAPTKMT2APGR
SCHEMBL4748740 0.75 KDM4E (0.39) KDM4EMEN1MAPTKMT2A
SCHEMBL4748819 0.74 PGR (0.37) KDM4EMEN1KMT2APGR
SCHEMBL4895744 0.73 PGR (0.32) PGR
SCHEMBL4904300 0.73 PGR (0.34) KDM4EMEN1KMT2APGR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed