SCHEMBL28065680

SCHEMBL28065680

CC(C)ON(N)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.36
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TAAR1 Q96RJ0 3/20 0.32
SLC6A2 P23975 2/20 0.32

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
SCHEMBL28869967 0.77 ALDH1A1 (0.33) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL1161050 0.76 MEN1 (0.36) ALDH1A1L3MBTL1TDP1MEN1HTT
SCHEMBL5514062 0.76 MEN1 (0.36) ALDH1A1L3MBTL1TDP1MEN1HTT
SCHEMBL5892064 0.74 MEN1 (0.39) AOC3ALDH1A1L3MBTL1KDM4EMEN1
SCHEMBL126418 0.73 CA4 (0.38) AOC3ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL29148796 0.73 ALDH1A1 (0.36) ALDH1A1L3MBTL1MEN1HTTKMT2A
Hydrochloric Acid SCHEMBL1707606 0.71 CA4 (0.36) AOC3ALDH1A1L3MBTL1KDM4ECYP1A2
SCHEMBL8393840 0.70 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL19639527 0.70 KMT2A (0.37) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL30500521 0.70 KMT2A (0.37) ALDH1A1MEN1KMT2ALMNATP53

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-104327010-B A kind of synthesis technique of oxadiazon 合肥星宇化学有限责任公司 2016-08-31 CN disclosed