SCHEMBL5884889

SCHEMBL5884889

CCON=Cc1cccc(OCC2CCCN(c3ccc(Cl)nn3)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR4 O00206 1/20 0.34
TLR2 O60603 1/20 0.34
MAP4K4 O95819 1/20 0.34
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PANK3 Q9H999 2/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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
SCHEMBL5884368 0.92 NPC1 (0.38) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL5884841 0.92 CHRNB2 (0.34) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL5884463 0.89 CYP1A2 (0.37) CYP1A2MEN1KMT2ASMN1; SMN2MAP4K4
SCHEMBL5884948 0.89 MEN1 (0.39) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL5884232 0.87 FFAR1 (0.38) TLR4TLR2MAP4K4CHRNB4CHRNA3
SCHEMBL5884586 0.82 SMN1; SMN2 (0.37) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL5884773 0.82 MEN1 (0.42) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL5884910 0.82 SMN1; SMN2 (0.37) NPC1RAB9ACYP1A2MEN1KMT2A
SCHEMBL5883881 0.81 L3MBTL1 (0.34) NPC1RAB9ASMN1; SMN2MAP4K4ALDH1A1
SCHEMBL5884096 0.81 CYP1A2 (0.39) CYP1A2MEN1KMT2ASMN1; SMN2MAP4K4

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