SCHEMBL2296596

SCHEMBL2296596

OC1CN(CNCCCN2CCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
SCN5A Q14524 2/20 0.39
HRH3 Q9Y5N1 3/20 0.39
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KCNH2 Q12809 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2300805 0.77 KDM4E (0.34) KDM4E
SCHEMBL5910693 0.76 HRH3 (0.57) SMN1; SMN2LMNASCN5AHRH3CARM1
SCHEMBL2297928 0.76 DPP4 (0.31) KDM4E
SCHEMBL5911217 0.74 HRH3 (0.62) SMN1; SMN2LMNASCN5AHRH3CARM1
SCHEMBL17526233 0.74 HRH3 (0.55) SMN1; SMN2LMNASCN5AHRH3CARM1
SCHEMBL17526224 0.74 HRH3 (0.55) SMN1; SMN2LMNASCN5AHRH3CARM1
SCHEMBL2299229 0.72 KDM4E (0.31) KDM4E
SCHEMBL4381194 0.72 HRH3 (0.59) SMN1; SMN2LMNASCN5AHRH3CARM1
SCHEMBL2299127 0.71
SCHEMBL2297692 0.71 TDP1 (0.41) SMN1; SMN2LMNAHRH3CYP2C9MEN1

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
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 US claimed