SCHEMBL4813032

SCHEMBL4813032

CCOC(=O)c1nn(CSC)c(C2CC2)c1Oc1ccc(C#N)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GPR55 Q9Y2T6 2/20 0.35
HTT P42858 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 4/20 0.33
MAPK1 P28482 3/20 0.33
FFAR4 Q5NUL3 2/20 0.33
PGR P06401 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL4813064 0.91 KDM4E (0.37) MAP2K1KDM4EMEN1KMT2AMAPT
SCHEMBL14021454 0.88 KDM4E (0.39) L3MBTL1KDM4EALDH1A1HTTMEN1
SCHEMBL4915592 0.85 ALDH1A1 (0.37) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4820235 0.76 PGR (0.39) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4962255 0.76 MRGPRX4 (0.40) FFAR4PGRAR
SCHEMBL4959655 0.75 MRGPRX4 (0.39) FFAR4PGRAR
SCHEMBL4751032 0.74 KDM4E (0.39) L3MBTL1KDM4EALDH1A1MEN1KMT2A
SCHEMBL4748844 0.74 PGR (0.38) MAP2K1KDM4EMAPTPGRHSD17B10
SCHEMBL4976120 0.74 PGR (0.46) FFAR4PGRAR
SCHEMBL4114375 0.73 MRGPRX4 (0.36) FFAR4PGRAR

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