SCHEMBL5884003

SCHEMBL5884003

CCON=Cc1ccc(OCCC2CCN(c3cc(C)c(Cl)nn3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
GPR119 Q8TDV5 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
OPRK1 P41145 2/20 0.33
PPARA Q07869 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TEAD1 P28347 1/20 0.31
TEAD3 Q99594 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5883827 0.87 KMT2A (0.40) KCNH2L3MBTL1KMT2AMEN1GPR119
SCHEMBL5884253 0.87 KMT2A (0.40) KCNH2L3MBTL1KMT2AMEN1GPR119
SCHEMBL5884333 0.87 KCNH2 (0.39) KCNH2L3MBTL1KMT2AMEN1GPR119
SCHEMBL5884689 0.87 KCNH2 (0.39) KCNH2L3MBTL1KMT2AMEN1GPR119
SCHEMBL5884674 0.83 GPR119 (0.38) KCNH2L3MBTL1KMT2AMEN1GPR119
SCHEMBL5885023 0.83 KCNH2 (0.37) KCNH2L3MBTL1KMT2AGPR119MAPT
SCHEMBL5884554 0.82 MEN1 (0.39) KCNH2L3MBTL1KMT2AMEN1MAPT
SCHEMBL5884353 0.82 KCNH2 (0.39) KCNH2L3MBTL1KMT2AMEN1GPR119
SCHEMBL5884547 0.81 KCNH2 (0.38) KCNH2L3MBTL1KMT2AMEN1GPR119
SCHEMBL5884360 0.81 MAPT (0.36) KCNH2L3MBTL1KMT2AGPR119MAPT

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