SCHEMBL4751032

SCHEMBL4751032

CCOC(=O)c1nn(C)c(C2CC2)c1Oc1cc(C)c(C#N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 2/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL14021454 0.86 KDM4E (0.39) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4820235 0.85 PGR (0.39) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4915592 0.83 ALDH1A1 (0.37) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4751035 0.82 ALDH1A1 (0.39) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL14022484 0.80 KDM4E (0.33) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL13889225 0.77 ALDH1A1 (0.39) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4751693 0.77 DHODH (0.39) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4752262 0.75 ALDH1A1 (0.36) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4748841 0.75 ALDH1A1 (0.39) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL4813032 0.74 MAP2K1 (0.35) KDM4EALDH1A1MAPTKMT2AMEN1

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