SCHEMBL5884760

SCHEMBL5884760

CCON=Cc1ccc(OCCCC2CCCN(c3ccc(Cl)nn3)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 6/20 0.35
MEN1 O00255 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PANK3 Q9H999 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNB2 P17787 3/20 0.33
CHRNA4 P43681 3/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAP4K4 O95819 1/20 0.33
HPGD P15428 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
SCHEMBL5884868 0.96 KCNH2 (0.36) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884927 0.91 CHRNB2 (0.34) HRH3CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884463 0.90 CYP1A2 (0.37) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884554 0.89 MEN1 (0.39) KCNH2HRH3CYP1A2KMT2AMEN1
SCHEMBL5884590 0.87 KCNH2 (0.35) KCNH2HRH3KMT2AMAPTNPSR1
SCHEMBL5884797 0.87 CHRNB2 (0.35) CYP1A2KMT2AMEN1SMN1; SMN2PANK3
SCHEMBL5883978 0.86 KMT2A (0.39) HRH3CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884253 0.84 KMT2A (0.40) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5883827 0.84 KMT2A (0.40) KCNH2CYP1A2KMT2AMEN1SMN1; SMN2
SCHEMBL5884860 0.83 NR1I2 (0.36) KCNH2HRH3L3MBTL1MAP4K4HPGD

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