SCHEMBL8813344

SCHEMBL8813344

O=CCCCC(Cl)c1cc(Cl)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL8809338 0.81 ERN1 (0.39) ALDH1A1MAPTMEN1KMT2A
SCHEMBL6222364 0.80 HIF1A (0.35) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8812701 0.80 GAA (0.44) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8810946 0.78 TRPV4 (0.38) ALDH1A1TP53MEN1KMT2A
SCHEMBL8813338 0.77 ERN1 (0.43) TDP1ALDH1A1MAPTMEN1POLB
SCHEMBL8811667 0.77 TSHR (0.39) TDP1ALDH1A1MAPTTP53MEN1
SCHEMBL6223713 0.76 TSHR (0.38) TDP1TP53MEN1KMT2A
SCHEMBL8813549 0.75 KMT2A (0.35) TDP1ALDH1A1MAPTMEN1POLB
SCHEMBL8812863 0.75 PTGER1 (0.46) MEN1KMT2A
SCHEMBL6223474 0.74 ACP3 (0.37) MEN1KMT2A

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
WO-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed