SCHEMBL28477281

SCHEMBL28477281

CC(=O)NCC(N)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PAOX Q6QHF9 3/20 0.38
ALDH1A1 P00352 1/20 0.35
MTNR1A P48039 7/20 0.33
MTNR1B P49286 7/20 0.33
CASR P41180 1/20 0.33
ADRA1A P35348 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
NPC1 O15118 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
SCHEMBL14375749 0.80 KDM4E (0.41) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL5889100 0.75
SCHEMBL28466394 0.74 KDM4E (0.39) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL14181402 0.74 KDM4E (0.39) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL17285667 0.74 KDM4E (0.39) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL1408403 0.72
SCHEMBL20001276 0.72
SCHEMBL6572031 0.71 MTNR1A (0.39) KDM4EMAPK1HIF1APAOXMTNR1A
SCHEMBL28387960 0.70 KDM4E (0.39) KDM4EMAPK1HIF1APAOXALDH1A1
SCHEMBL30076061 0.70

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-111801301-A Methods and compositions for reducing azole and AOX corrosion inhibitors BL 科技公司 2020-10-20 CN claimed
CN-113372443-A IL-8-binding antibodies and uses thereof 中外制药株式会社 2021-09-10 CN disclosed
CN-111801301-A Methods and compositions for reducing azole and AOX corrosion inhibitors BL 科技公司 2020-10-20 CN disclosed