SCHEMBL4046072

SCHEMBL4046072

CC(=O)On1cc(C2CCCCC2)c2ccc(C#N)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.33
ELANE P08246 3/20 0.33
SCN9A Q15858 3/20 0.33
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
TSHR P16473 1/20 0.32
SCN5A Q14524 1/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
PIK3CA P42336 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL12597553 0.78 CDK7 (0.40) CAMKK2SCN9ACCNE1CDK2SCN5A
SCHEMBL804189 0.78 POLB (0.40) CAMKK2PTGDR2
SCHEMBL771842 0.77 CAMKK2 (0.41) CAMKK2PTGDR2ELANESCN9ASCN5A
SCHEMBL3788411 0.76 CAMKK2 (0.42) CAMKK2PTGDR2ELANECCNE1CDK2
SCHEMBL4046075 0.74 ALDH1A1 (0.35) CAMKK2SCN9A
SCHEMBL10283722 0.73 CAMKK2 (0.37) CAMKK2PTGDR2CCNE1CDK2DDB1
SCHEMBL804023 0.71 CNR1 (0.35) CAMKK2CCNE1CDK2CTSSCTSK
SCHEMBL772336 0.67 LTA4H (0.38) CAMKK2CTSSCTSK
SCHEMBL771610 0.63 CAMKK2 (0.57) CAMKK2CCNE1CDK2CTSK
SCHEMBL12127455 0.60 CCNE1 (0.42) CAMKK2SCN9ACCNE1CDK2SCN5A

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
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed