SCHEMBL5884868

SCHEMBL5884868

CCON=Cc1ccc(OCCC2CCCN(c3ccc(Cl)nn3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PANK3 Q9H999 4/20 0.35
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAP4K4 O95819 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BPTF Q12830 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
SCHEMBL5884760 0.96 KCNH2 (0.36) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884797 0.91 CHRNB2 (0.35) CYP1A2KMT2AMEN1SMN1; SMN2PANK3
SCHEMBL5883978 0.91 KMT2A (0.39) CYP1A2KMT2AMEN1SMN1; SMN2PANK3
SCHEMBL5884463 0.91 CYP1A2 (0.37) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884253 0.89 KMT2A (0.40) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5883827 0.89 KMT2A (0.40) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884927 0.87 CHRNB2 (0.34) CYP1A2KMT2AMEN1SMN1; SMN2PANK3
SCHEMBL5884554 0.84 MEN1 (0.39) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884590 0.83 KCNH2 (0.35) KCNH2KMT2ANPSR1MAP4K4MAPT
SCHEMBL5884130 0.83 KMT2A (0.39) CYP1A2KMT2AMEN1SMN1; SMN2PANK3

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-7078403-B1 Antiviral agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2006-07-18 US claimed