SCHEMBL5883978

SCHEMBL5883978

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.37
MAP4K4 O95819 1/20 0.36
PANK3 Q9H999 4/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
AXL P30530 1/20 0.34
MAOB P27338 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
BPTF Q12830 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL5884096 0.92 CYP1A2 (0.39) KMT2AMEN1SMN1; SMN2CYP1A2MAP4K4
SCHEMBL5884868 0.91 KCNH2 (0.36) KMT2AMEN1SMN1; SMN2CYP1A2MAP4K4
SCHEMBL5884268 0.89 MEN1 (0.43) KMT2AMEN1SMN1; SMN2CYP1A2PANK3
SCHEMBL5884797 0.88 CHRNB2 (0.35) KMT2AMEN1SMN1; SMN2CYP1A2MAP4K4
SCHEMBL5884760 0.86 KCNH2 (0.36) KMT2AMEN1SMN1; SMN2CYP1A2MAP4K4
SCHEMBL5884759 0.84 MEN1 (0.43) KMT2AMEN1SMN1; SMN2CYP1A2PANK3
SCHEMBL5884463 0.83 CYP1A2 (0.37) KMT2AMEN1SMN1; SMN2CYP1A2MAP4K4
SCHEMBL5884927 0.83 CHRNB2 (0.34) KMT2AMEN1SMN1; SMN2CYP1A2MAP4K4
SCHEMBL5884176 0.82 HRH3 (0.37) KMT2AMAP4K4PTGS1PTGS2HRH3
SCHEMBL5884368 0.81 NPC1 (0.38) KMT2AMEN1SMN1; SMN2CYP1A2MAP4K4

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