SCHEMBL28237248

SCHEMBL28237248

C=C(C)C(N)=O.C=Cc1ccccc1N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
GSK3B P49841 1/20 0.36
PTPN1 P18031 3/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 3/20 0.33
NSD2 O96028 1/20 0.33
EGFR P00533 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHEK1 O14757 1/20 0.33
NEK2 P51955 1/20 0.33
LIMK1 P53667 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 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
Methacrylic Acid SCHEMBL28334184 0.89 ALDH1A1 (0.42) ALDH1A1MAPTGAATSHRTP53
SCHEMBL11175970 0.84 TDP1 (0.50) ALDH1A1MAPTTSHRTDP1HPGD
SCHEMBL29558930 0.82 ALDH1A1 (0.44) ALDH1A1MAPTGAATSHRTP53
SCHEMBL81306 0.82 ALDH1A1 (0.44) ALDH1A1MAPTGAATSHRTP53
Hydrochloric Acid SCHEMBL9225051 0.80 ALDH1A1 (0.43) ALDH1A1MAPTGAATSHRTP53
SCHEMBL927402 0.80 ALDH1A1 (0.41) ALDH1A1MAPTGAATSHRTP53
Boric Acid SCHEMBL30209318 0.79 ALDH1A1 (0.39) ALDH1A1MAPTGAATSHRTP53
SCHEMBL3673337 0.75 CYP2C9 (0.38) ALDH1A1MAPTGAATSHRTP53
Acetamide SCHEMBL27724259 0.74 ALDH1A1 (0.44) ALDH1A1MAPTTSHRTDP1HPGD
Acetic Acid SCHEMBL19133449 0.74 TSHR (0.47) ALDH1A1MAPTGAATSHRTP53

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-105814720-B Collector coating bonding agent coating fluid 日本瑞翁株式会社 2018-08-03 CN disclosed