SCHEMBL28007121

SCHEMBL28007121

C=CC(=O)NCCN(C)C.CCCS(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DNM1 Q05193 2/20 0.40
TGM2 P21980 2/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
USP2 O75604 1/20 0.31
HDAC1 Q13547 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
SCHEMBL902179 0.91 ZDHHC20 (0.55) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL866404 0.85 ZDHHC20 (0.51) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28042047 0.84 ZDHHC20 (0.58) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL27346 0.83 ALDH1A1 (0.56) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL2804444 0.82 ALDH1A1 (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL28528945 0.81 ZDHHC20 (0.57) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL1000862 0.81 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Bicarbonate SCHEMBL9017531 0.80 ALDH1A1 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
Chloromethane SCHEMBL1099332 0.80 ALDH1A1 (0.52) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL19681586 0.79 ZDHHC20 (0.46) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103084081-B Preparation method of large-flux amphiprotic nano-filtration membrane NINGBO INST MATERIALS TECHNOLOGY & ENG CAS 2015-05-20 CN claimed
CN-111727082-A Protective coating for graphene oxide films 日东电工株式会社 2020-09-29 CN disclosed
CN-103084081-B Preparation method of large-flux amphiprotic nano-filtration membrane NINGBO INST MATERIALS TECHNOLOGY & ENG CAS 2015-05-20 CN disclosed