SCHEMBL5884948

SCHEMBL5884948

CCON=Cc1cccc(OCC2CCN(c3ccc(Cl)nn3)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DGAT1 O75907 6/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
TLR4 O00206 1/20 0.36
TLR2 O60603 1/20 0.36
CYP3A4 P08684 1/20 0.36
SOAT1 P35610 1/20 0.36
FFAR1 O14842 2/20 0.36
BPTF Q12830 1/20 0.36
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
CYP1A2 P05177 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
SCHEMBL5884586 0.91 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2DGAT1NPC1
SCHEMBL5884773 0.91 MEN1 (0.42) MEN1KMT2ASMN1; SMN2DGAT1NPC1
SCHEMBL5884910 0.90 SMN1; SMN2 (0.37) MEN1KMT2ASMN1; SMN2DGAT1NPC1
SCHEMBL5884889 0.89 NPC1 (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884266 0.89 KMT2A (0.41) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL5884626 0.83 KMT2A (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884872 0.81 SMN1; SMN2 (0.34) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884751 0.81 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5884592 0.81 NPC1 (0.35) SMN1; SMN2DGAT1NPC1RAB9A
SCHEMBL5884841 0.81 CHRNB2 (0.34) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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