SCHEMBL28528501

SCHEMBL28528501

CC=Cc1cccc(-c2cc[c]cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CNR2 P34972 1/20 0.36
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
ATM Q13315 2/20 0.33
CYP3A4 P08684 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
RELA Q04206 1/20 0.33
PTGS2 P35354 2/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL27946719 0.84 PLAAT3 (0.44) HDAC2HDAC8CNR2PLAAT3PLAAT5
SCHEMBL27567318 0.84 PLAAT3 (0.44) HDAC2HDAC8CNR2PLAAT3PLAAT5
SCHEMBL31558750 0.84 PLAAT3 (0.44) HDAC2HDAC8CNR2PLAAT3PLAAT5
SCHEMBL694393 0.79 ENPP2 (0.50) HDAC2HDAC8PLAAT3PLAAT5PLAAT2
SCHEMBL694394 0.79 ENPP2 (0.50) HDAC2HDAC8PLAAT3PLAAT5PLAAT2
SCHEMBL23581826 0.78 CYP3A4 (0.45) HDAC2HDAC8CNR2ATMCYP3A4
SCHEMBL31558748 0.78 HDAC2 (0.58) HDAC2HDAC8CNR2CYP3A4BCL2L1
SCHEMBL26083980 0.78 CYP19A1 (0.48) HDAC2HDAC8TRIM24TRIM33CYP3A4
SCHEMBL18725055 0.78 HDAC2 (0.40) HDAC2HDAC8CNR2PLAAT3PLAAT5
SCHEMBL18725056 0.78 HDAC2 (0.40) HDAC2HDAC8CNR2PLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458904-B N-substituted sulfonamide compound and process for producing the same 宇部兴产株式会社 2021-12-03 CN disclosed
CN-106458903-B Method for producing heteroaromatic sulfonamide compound 宇部兴产株式会社 2021-02-05 CN disclosed