SCHEMBL28429508

SCHEMBL28429508

CC(=O)Nc1ccc(CCOCCc2ccc(NC(C)=O)cc2N)c(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RORC P51449 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
MAPT P10636 1/20 0.41
TNNI3 P19429 1/20 0.41
TNNT2 P45379 1/20 0.41
RAB9A P51151 1/20 0.41
TNNC1 P63316 1/20 0.41
RUNX1 Q01196 1/20 0.41
CBFB Q13951 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 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
SCHEMBL11127800 0.84 TDP1 (0.64) TDP1ALDH1A1MEN1KMT2ARORC
SCHEMBL27931099 0.81 TDP1 (0.56) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8146374 0.77 TDP1 (0.52) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20006565 0.75 TKT (0.38) TDP1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL30442658 0.75 TDP1 (0.60) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7509092 0.75 TDP1 (0.60) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28396867 0.74 AOC3 (0.54) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL7516181 0.73 TDP1 (0.58) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28430906 0.72 TDP1 (0.71) TDP1ALDH1A1MEN1KMT2ARORC
SCHEMBL5050117 0.72 CFTR (0.52) TDP1ALDH1A1MEN1KMT2ANPC1

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
CN-111269135-A Production process of 2-amino-4-acetamidophenyl ether 中卫市鑫三元化工有限公司 2020-06-12 CN disclosed