SCHEMBL5884598

SCHEMBL5884598

CCON=Cc1ccc(OCCC2CCN(c3ccc(C=NOC)nn3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
GAA P10253 2/20 0.32
TEAD1 P28347 1/20 0.31
TEAD3 Q99594 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ACHE P22303 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5884209 0.90 KCNH2 (0.38) KCNH2GPR119MAPTL3MBTL1KMT2A
SCHEMBL5884547 0.90 KCNH2 (0.38) KCNH2GPR119MAPTL3MBTL1KMT2A
SCHEMBL5885023 0.88 KCNH2 (0.37) KCNH2GPR119MAPTL3MBTL1KMT2A
SCHEMBL5884689 0.88 KCNH2 (0.39) KCNH2GPR119MAPTL3MBTL1KMT2A
SCHEMBL5884333 0.88 KCNH2 (0.39) KCNH2GPR119MAPTL3MBTL1KMT2A
SCHEMBL5883827 0.86 KMT2A (0.40) KCNH2GPR119MAPTL3MBTL1KMT2A
SCHEMBL5884253 0.86 KMT2A (0.40) KCNH2GPR119MAPTL3MBTL1KMT2A
SCHEMBL5884362 0.86 NR1I2 (0.38) GPR119MAPTL3MBTL1GAATEAD1
SCHEMBL5884628 0.84 GPR119 (0.37) KCNH2GPR119MAPTL3MBTL1KMT2A
SCHEMBL5884360 0.84 MAPT (0.36) KCNH2GPR119MAPTL3MBTL1KMT2A

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