SCHEMBL8200239

SCHEMBL8200239

CCCCCCCCC[CH]c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TBXAS1 P24557 2/20 0.46
FAAH O00519 4/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL8198808 1.00 TDP1 (0.50) TDP1L3MBTL1TBXAS1FAAHCHRNB2
SCHEMBL8192665 1.00 TDP1 (0.50) TDP1L3MBTL1TBXAS1FAAHCHRNB2
SCHEMBL8205388 1.00 TDP1 (0.50) TDP1L3MBTL1TBXAS1FAAHCHRNB2
SCHEMBL8201003 0.98 TDP1 (0.51) TDP1L3MBTL1TBXAS1FAAHCHRNB2
SCHEMBL8200133 0.93 L3MBTL1 (0.49) TDP1L3MBTL1TBXAS1CHRNB2CHRNB4
SCHEMBL5709830 0.85 KMT2A (0.49) TDP1L3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL2002836 0.83 TBXAS1 (0.62) TDP1L3MBTL1TBXAS1FAAHCHRNB2
SCHEMBL29187188 0.83 TBXAS1 (0.62) TDP1L3MBTL1TBXAS1FAAHCHRNB2
SCHEMBL2002837 0.83 TBXAS1 (0.62) TDP1L3MBTL1TBXAS1FAAHCHRNB2
SCHEMBL10981660 0.83 TBXAS1 (0.62) TDP1L3MBTL1TBXAS1FAAHCHRNB2

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-6043227-A C11 carbamates of macrolide antibacterials PFIZER INC. (US) 2000-03-28 US disclosed