SCHEMBL5332386

SCHEMBL5332386

C=C(C)C(=O)OCCOc1ccc(N=Nc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.52
PPARA Q07869 5/20 0.51
PPARD Q03181 3/20 0.51
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 1/20 0.42
PPARG P37231 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5332382 1.00 TDP1 (0.52) TDP1POLBAPEX1HTTPPARA
SCHEMBL20828630 0.94 POLB (0.57) TDP1POLBAPEX1HTTPPARA
SCHEMBL1477075 0.92 HTT (0.64) TDP1POLBAPEX1HTTPPARA
SCHEMBL18085867 0.92 HTT (0.64) TDP1POLBAPEX1HTTPPARA
SCHEMBL24565142 0.91 POLB (0.60) TDP1POLBAPEX1HTTLMNA
SCHEMBL20828629 0.89 POLB (0.52) TDP1POLBAPEX1HTTPPARA
SCHEMBL4455307 0.89 POLB (0.56) TDP1POLBAPEX1HTTPPARA
SCHEMBL2785663 0.89 POLB (0.56) TDP1POLBAPEX1HTTPPARA
SCHEMBL14597118 0.88 NPC1 (0.55) TDP1POLBAPEX1HTTLMNA
SCHEMBL12563532 0.87 MAPT (0.44) TDP1POLBAPEX1HTTPPARA

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
JP-2007131707-A AZO FUNCTIONAL GROUP-CONTAINING COPOLYMER NITTO DENKO CORP 2007-05-31 JP disclosed