SCHEMBL29628554

SCHEMBL29628554

CC(CC(=O)NO)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MMP3 P08254 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
EPHX2 P34913 2/20 0.43
ANPEP P15144 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL9185404 0.82 CYP2C9 (0.59) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL8576653 0.81 ALOX5 (0.51) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL27987895 0.81 ALOX5 (0.51) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL27725216 0.78 CYP2C9 (0.47) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL6752558 0.77 CYP2C9 (0.43) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL6752303 0.77 CYP2C9 (0.43) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL6752276 0.77 CYP2C9 (0.43) CYP2C9HPGDCYP2C19HTTLMNA
SCHEMBL7723726 0.75 MTNR1A (0.50) HPGDLMNAGAAEPHX2
SCHEMBL3412393 0.74 CYP1A2 (0.50) CYP2C9CYP2C19ALOX5
SCHEMBL3412391 0.74 ALDH1A1 (0.50) CYP2C9CYP2C19ALOX5

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