SCHEMBL29628720

SCHEMBL29628720

CC(C)(C)OC(=O)N1CC(S(=O)(=O)Cl)Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
KDM1A O60341 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
BCHE P06276 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
USP30 Q70CQ3 1/20 0.38
NR1H2 P55055 5/20 0.37
NR1H3 Q13133 4/20 0.36
RORC P51449 1/20 0.36
STS P08842 1/20 0.35
UCHL1 P09936 1/20 0.35

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
SCHEMBL924383 0.79 SIRT1 (0.47) SIRT1SIRT2KDM1ABCHESIRT3
SCHEMBL6975852 0.78 RORC (0.45) SIRT1SIRT2KDM1ARORC
SCHEMBL6975655 0.75 MAPT (0.45) TDP1RORC
SCHEMBL31404944 0.74 KDM1A (0.42) SIRT1SIRT2KDM1ABCHESIRT3
SCHEMBL31561707 0.74 TP53 (0.41) SIRT1SIRT2KDM1ABCHEHDAC1
SCHEMBL925973 0.74 POLB (0.49) SIRT1SIRT2SIRT3
SCHEMBL29628751 0.73 KDM1A (0.39) SIRT1SIRT2KDM1ABCHEHDAC1
SCHEMBL23228659 0.71 USP30 (0.43) KDM1ABCHEHDAC1HDAC6USP30
SCHEMBL3540362 0.71 NOTUM (0.64) KDM1AHDAC1HDAC6USP30
SCHEMBL29628537 0.71 NOTUM (0.64) KDM1AHDAC1HDAC6USP30

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