SCHEMBL5740935

SCHEMBL5740935

COc1cc(COc2cc(C)c(C)cc2N(CC(C)C)S(=O)(=O)c2ccccn2)ccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
EP300 Q09472 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
RAF1 P04049 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MCL1 Q07820 3/20 0.36
RORC P51449 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
OXTR P30559 1/20 0.36
BCL2L1 Q07817 2/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 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
SCHEMBL215215 0.87 RXRA (0.46) MCL1RORC
SCHEMBL215468 0.83 KDM4E (0.37) KDM4AKDM5AKDM5BMCL1OXTR
SCHEMBL1645342 0.80 RXRA (0.44) KEAP1NFE2L2
SCHEMBL12361934 0.80 RXRA (0.44) KEAP1NFE2L2
SCHEMBL1644361 0.80 RXRA (0.44) KEAP1NFE2L2
SCHEMBL215462 0.80 MCL1 (0.37) EP300KDM4AKDM5AKDM5BMCL1
SCHEMBL1645226 0.79 RXRA (0.43) KEAP1NFE2L2
SCHEMBL1644379 0.79 RXRA (0.43) KEAP1NFE2L2
SCHEMBL12380765 0.79 KEAP1 (0.41) RORCKEAP1NFE2L2OXTR
SCHEMBL1645078 0.79 ALDH1A1 (0.44)

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
EP-1612208-A2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed