SCHEMBL5884738

SCHEMBL5884738

CCON=Cc1ccc(OCCC2CCN(c3ccc(-c4ccccc4)nn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 3/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
CHRNA7 P36544 3/20 0.37
HTR3A P46098 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37

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
SCHEMBL5884333 0.87 KCNH2 (0.39) ACHEMAPTMEN1ALDH1A1KMT2A
SCHEMBL5884689 0.87 KCNH2 (0.39) ACHEMAPTMEN1ALDH1A1KMT2A
SCHEMBL5884253 0.85 KMT2A (0.40) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5883827 0.85 KMT2A (0.40) MAPTMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5885023 0.85 KCNH2 (0.37) BCHEACHEMAPTALDH1A1KMT2A
SCHEMBL5884628 0.84 GPR119 (0.37) ACHEMAPTKDM4EMEN1ALDH1A1
SCHEMBL5884209 0.84 KCNH2 (0.38) ACHEMAPTTP53MEN1ALDH1A1
SCHEMBL5884547 0.84 KCNH2 (0.38) ACHEMAPTTP53MEN1ALDH1A1
SCHEMBL5884360 0.84 MAPT (0.36) MAPTTP53KMT2A
SCHEMBL5884766 0.83 NPY1R (0.41) ACHEMAPTMEN1NPC1ALDH1A1

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