SCHEMBL5884831

SCHEMBL5884831

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
NR1I2 O75469 1/20 0.35
GPR119 Q8TDV5 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KCNH2 Q12809 2/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 5/20 0.31
ACACB O00763 1/20 0.31
NFE2L2 Q16236 1/20 0.31
NPC1 O15118 2/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 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
SCHEMBL5884514 0.95 NR1I2 (0.35) TEAD1TEAD3NR1I2GPR119L3MBTL1
SCHEMBL5884689 0.91 KCNH2 (0.39) TEAD1TEAD3NR1I2GPR119L3MBTL1
SCHEMBL5884333 0.91 KCNH2 (0.39) TEAD1TEAD3NR1I2GPR119L3MBTL1
SCHEMBL14191686 0.91 NR1I2 (0.38) TEAD1TEAD3NR1I2GPR119L3MBTL1
SCHEMBL5884917 0.91 TEAD1 (0.35) TEAD1TEAD3GPR119L3MBTL1KCNH2
SCHEMBL5884258 0.90 LMNA (0.36) TEAD1TEAD3L3MBTL1MAPT
SCHEMBL5884713 0.89 TEAD1 (0.36) TEAD1TEAD3NR1I2GPR119NPC1
SCHEMBL5884287 0.89 L3MBTL1 (0.37) TEAD1TEAD3NR1I2GPR119L3MBTL1
SCHEMBL5884133 0.88 NR1I2 (0.36) TEAD1TEAD3NR1I2GPR119L3MBTL1
SCHEMBL5884829 0.88 L3MBTL1 (0.36) TEAD1TEAD3NR1I2GPR119L3MBTL1

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