SCHEMBL28817952

SCHEMBL28817952

C=C(C(N)=O)C(CC)CN(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
ATM Q13315 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
LMNA P02545 1/20 0.31
PAX8 Q06710 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8446634 0.83 CA2 (0.43) CA1CA2USP2TSHRMAPK1
SCHEMBL16773752 0.79 CA2 (0.50) CA1CA2USP2TSHRHTT
SCHEMBL28255519 0.77 CA2 (0.39) CA1CA2USP2TSHRMAPK1
Dimethylamine SCHEMBL6470867 0.77 CA2 (0.39) CA1CA2USP2TSHRMAPK1
SCHEMBL4742989 0.75 CA2 (0.47) CA1CA2USP2TSHRMAPK1
SCHEMBL733212 0.73 CA1 (0.36) CA1CA2USP2TSHRTDP1
SCHEMBL28420933 0.72 CA2 (0.64) CA1CA2USP2MAPTMAPK1
SCHEMBL5892318 0.72 MAPK1 (0.48) CA2USP2TSHRHTTRAB9A
SCHEMBL18934271 0.72 TSHR (0.46) CA1CA2USP2TSHRHTT
SCHEMBL21612 0.71 TDP1 (0.35) TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773540-A High molecular weight amphoteric polyacrylamide and preparation method thereof 苏州派凯姆新能源科技有限公司 2022-07-22 CN claimed
CN-114773540-A High molecular weight amphoteric polyacrylamide and preparation method thereof 苏州派凯姆新能源科技有限公司 2022-07-22 CN disclosed