SCHEMBL28264187

SCHEMBL28264187

C=CC(=O)NC(C)(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
TGM2 P21980 4/20 0.42
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
EGFR P00533 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL9836258 0.88 ALDH1A1 (0.51) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL28788464 0.80 HDAC3 (0.42) CYP2C19ALDH1A1CYP3A4HDAC3HDAC4
SCHEMBL5396951 0.78 ALDH1A1 (0.58) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL3701045 0.78 CYP2C19 (0.51) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL28933510 0.78 CYP2C19 (0.48) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL28852296 0.77 ALDH1A1 (0.50) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL10534963 0.77 CYP2C19 (0.50) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL10635375 0.77 CYP2C19 (0.50) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
Potassium Ion SCHEMBL9616863 0.77 CYP2C19 (0.50) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2
SCHEMBL30758297 0.76 CYP2C19 (0.59) CYP2C19ALDH1A1CYP3A4CYP2C9TGM2

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-110819316-B Drilling fluid treating agent and preparation method thereof 中国石油化工股份有限公司 2022-04-08 CN disclosed
CN-110819316-A Drilling fluid treating agent and preparation method thereof 中国石油化工股份有限公司 2020-02-21 CN disclosed
CN-109153749-A Polymer, method for producing polymer, and polymeric flocculant 三菱化学株式会社 2019-01-04 CN disclosed