SCHEMBL28499412

SCHEMBL28499412

C=CC(=O)c1cnccc1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
SIRT3 Q9NTG7 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 1/20 0.34
KDM4C Q9H3R0 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL5014069 0.79 KDM4C (0.49) TDP1SIRT3MAPTALDH1A1GAA
SCHEMBL2770960 0.79 SIRT3 (0.61) TDP1SIRT3MAPTALDH1A1GAA
SCHEMBL27713021 0.77 TDP1 (0.42) TDP1SIRT3MAPTALDH1A1GAA
SCHEMBL17746099 0.77 KDM4C (0.47) TDP1SIRT3MAPTALDH1A1GAA
SCHEMBL7393208 0.77 TDP1 (0.39) TDP1SIRT3MAPTALDH1A1GAA
Potassium Ion SCHEMBL17746100 0.76 TDP1 (0.41) TDP1SIRT3MAPTALDH1A1GAA
SCHEMBL10367206 0.75 MAPT (0.62) TDP1MAPTALDH1A1GAATP53
SCHEMBL27671382 0.74 KDM4C (0.35) TDP1SIRT3MAPTALDH1A1GAA
SCHEMBL3451540 0.73 SIRT3 (0.39) TDP1SIRT3MAPTALDH1A1GAA
SCHEMBL26320440 0.73 PTPN1 (0.41) GAAKDM4CLMNA

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-112023711-A RO reverse osmosis membrane treating agent and preparation method thereof 福州源洁环保科技有限公司 2020-12-04 CN disclosed