SCHEMBL29628751

SCHEMBL29628751

CC(C)(C)OC(=O)N1CC(Cl)Oc2c1cccc2S(=O)(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
STS P08842 2/20 0.36
HSD11B1 P28845 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
BCHE P06276 1/20 0.34
NR1H2 P55055 6/20 0.34
NR1H3 Q13133 5/20 0.34
RORC P51449 3/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
UCHL1 P09936 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
SCHEMBL19682451 0.79 NOTUM (0.47) KDM1ASTSHDAC1HDAC6BCHE
SCHEMBL30812954 0.79 NOTUM (0.47) KDM1ASTSHDAC1HDAC6BCHE
SCHEMBL29628564 0.73 DRD2 (0.32) SIRT1
SCHEMBL29628720 0.73 SIRT1 (0.42) KDM1ASTSHDAC1HDAC6BCHE
SCHEMBL31443362 0.72 UCHL1 (0.48) KDM1ASTSHDAC1HDAC6BCHE
SCHEMBL25980404 0.70 UCHL1 (0.43) KDM1AHDAC1HDAC6BCHENR1H2
SCHEMBL14587287 0.69 KDM1A (0.46) KDM1AHDAC1HDAC6BCHERORC
SCHEMBL29628441 0.68 HTR6 (0.31)
SCHEMBL3205346 0.68 UCHL1 (0.44) KDM1AHDAC1HDAC6BCHENR1H2
SCHEMBL30479646 0.68 UCHL1 (0.44) KDM1AHDAC1HDAC6BCHENR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563057-B Sulfonamide compound or salt thereof 大鹏药品工业株式会社 2022-06-24 CN disclosed