SCHEMBL28849403

SCHEMBL28849403

CS(=O)(=O)C(O)C(N)(C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
CYP2D6 P10635 1/20 0.62
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 3/20 0.39
HIF1A Q16665 2/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
KCNN4 O15554 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KIF11 P52732 6/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL28849391 0.98 CYP1A2 (0.61) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL27570861 0.81 CYP1A2 (0.78) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL28536195 0.79 CYP1A2 (0.41) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL28551769 0.79 CYP1A2 (0.41) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL2454501 0.77 CYP1A2 (1.00) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL2454503 0.77 CYP1A2 (1.00) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL1082430 0.75 CYP1A2 (0.68) CYP1A2CYP2D6MAPTKMT2AHIF1A
SCHEMBL6341752 0.75 CYP1A2 (0.62) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL14944875 0.73 CYP2D6 (0.70) CYP1A2CYP2D6MAPTKMT2ACYP2C19
SCHEMBL28463954 0.70 CYP2D6 (0.66) CYP1A2CYP2D6MAPTKMT2ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115504915-B Preparation method of florfenicol intermediate 山东国邦药业有限公司 2023-01-31 CN claimed
CN-115504915-A Preparation method of florfenicol intermediate 山东国邦药业有限公司 2022-12-23 CN claimed
CN-115108950-B Preparation method of 2-amino-1- (4-methylsulfonyl) phenyl-1,3-propylene glycol 山东国邦药业有限公司 2022-11-22 CN claimed
CN-115108950-A Preparation method of 2-amino-1- (4-methylsulfonyl) phenyl-1, 3-propylene glycol 山东国邦药业有限公司 2022-09-27 CN claimed
CN-115504915-B Preparation method of florfenicol intermediate 山东国邦药业有限公司 2023-01-31 CN disclosed
CN-115504915-B Preparation method of florfenicol intermediate 山东国邦药业有限公司 2023-01-31 CN disclosed
CN-115504915-A Preparation method of florfenicol intermediate 山东国邦药业有限公司 2022-12-23 CN disclosed
CN-115504915-A Preparation method of florfenicol intermediate 山东国邦药业有限公司 2022-12-23 CN disclosed
CN-115108950-B Preparation method of 2-amino-1- (4-methylsulfonyl) phenyl-1,3-propylene glycol 山东国邦药业有限公司 2022-11-22 CN disclosed
CN-115108950-A Preparation method of 2-amino-1- (4-methylsulfonyl) phenyl-1, 3-propylene glycol 山东国邦药业有限公司 2022-09-27 CN disclosed