SCHEMBL4748740

SCHEMBL4748740

CCOC(=O)c1c(Oc2cc(C)c(C#N)c(C)c2)c(C(C)C)nn1CS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 7/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
BRAF P15056 2/20 0.35
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4788735 0.83 PGR (0.32) KDM4EMAPTKMT2AMEN1
SCHEMBL14021476 0.81 KDM4E (0.36) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL4895744 0.79 PGR (0.32)
SCHEMBL4820235 0.76 PGR (0.39) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL4751237 0.75 KDM4E (0.32) KDM4EMAPTKMT2AMEN1
SCHEMBL4608810 0.74 PGR (0.34) KDM4EMAPTKMT2AALDH1A1HSD17B10
SCHEMBL4789035 0.74 KDM4E (0.38) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL4751693 0.73 DHODH (0.39) KDM4EMAPTKMT2AALDH1A1HPGD
SCHEMBL4654589 0.72 PGR (0.41) KDM4EMAPTKMT2AALDH1A1MAPK1
SCHEMBL4814388 0.72 KDM4E (0.40) KDM4EMAPTKMT2AALDH1A1HPGD

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