SCHEMBL28078710

SCHEMBL28078710

NC(=O)c1ccc(OC(F)(F)F)cc1-c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.51
ABL1 P00519 2/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
BCR P11274 1/20 0.47
PTGES2 Q9H7Z7 2/20 0.46
FAAH O00519 2/20 0.44

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
SCHEMBL4517767 0.82 BCAT2 (0.51) ABL1
SCHEMBL28078756 0.81 IKBKB (0.54) IKBKBCA1CA2PTGES2
SCHEMBL28078718 0.81 IKBKB (0.65) IKBKBCA1CA2
SCHEMBL2311228 0.77 ABL1 (0.53) ABL1CA1CA2BCRPTGES2
SCHEMBL17784452 0.76 IKBKB (0.67) IKBKBCA1CA2
SCHEMBL8075337 0.76 CA2 (0.55) ABL1CA1CA2BCRPTGES2
SCHEMBL5498010 0.76 BCAT2 (0.54)
Hydrochloric Acid SCHEMBL5797907 0.75 FFAR4 (0.46) IKBKBABL1
SCHEMBL28312072 0.74 IKBKB (0.54) IKBKBCA1CA2PTGES2
SCHEMBL28312069 0.74 IKBKB (0.54) IKBKBCA1CA2

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-105683157-B Sulfonamides as sodium channel modulators 沃泰克斯药物股份有限公司 2019-07-19 CN disclosed
CN-105683157-A Sulfonamides as modulators of sodium channels 沃泰克斯药物股份有限公司 2016-06-15 CN disclosed