SCHEMBL5547338

SCHEMBL5547338

NCCCCNCCCOC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
LMNA P02545 1/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
GRIN2B Q13224 3/20 0.45
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 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
SCHEMBL1410185 0.87 TDP1 (0.81) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2777301 0.85 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2777961 0.85 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL28093034 0.85 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL2778301 0.85 TDP1 (0.79) TDP1LMNAMAPK1HIF1ASLC6A2
SCHEMBL7292310 0.85 TDP1 (0.78) TDP1LMNAESR1ESR2MAPK1
SCHEMBL29049842 0.85 LMNA (0.63) TDP1LMNAESR1MAPK1SLC6A3
SCHEMBL24765208 0.82 TDP1 (0.67) TDP1LMNANPC1RAB9AALDH1A1
SCHEMBL27753481 0.81 TDP1 (0.66) TDP1LMNAESR1ESR2MAPK1
SCHEMBL5551631 0.81 TDP1 (0.65) TDP1LMNAGRIN1GRIN2AGRIN2B

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-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed