SCHEMBL15833488

SCHEMBL15833488

CCN(CC)CCCn1ccc2cncnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
MKNK2 Q9HBH9 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
KDM4E B2RXH2 2/20 0.34
NSD2 O96028 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PRKCA P17252 1/20 0.33
GLO1 Q04760 2/20 0.33
TP53 P04637 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
TNK2 Q07912 1/20 0.32
ICMT O60725 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 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
SCHEMBL24110604 0.80 HTR2C (0.47) MKNK2
SCHEMBL15833690 0.78 MTNR1A (0.36) MKNK2ALDH1A1GLO1HRH4HRH3
SCHEMBL5068124 0.77 MKNK2 (0.42) MKNK2ALDH1A1
SCHEMBL16982183 0.75 IRAK4 (0.34) MKNK2ALDH1A1GLO1
SCHEMBL2173797 0.74 MKNK2 (0.40) MKNK2ALDH1A1
SCHEMBL25818492 0.74 MKNK2 (0.40) MKNK2ALDH1A1
SCHEMBL13195335 0.74 MKNK2 (0.40) MKNK2
SCHEMBL28212072 0.73 CYP1A2 (0.45) SIGMAR1KDM4EALDH1A1
SCHEMBL15833570 0.70 GRIN2B (0.47)
SCHEMBL18926936 0.70 MKNK2 (0.39) MKNK2

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-2014100695-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed