SCHEMBL24762776

SCHEMBL24762776

COc1cc(N[S+]([O-])c2cccc(C#N)c2)c2[nH]ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.38
▸ CHUK O15111 1/20 0.38
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ PRKCQ Q04759 1/20 0.33
▸ ACP1 P24666 2/20 0.32
▸ P4HB P07237 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ AAK1 Q2M2I8 1/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ IMPDH1 P20839 1/20 0.32
▸ ABCG2 Q9UNQ0 2/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL24762248 0.74 ACLY (0.53) BRD4PIK3CD
SCHEMBL29764427 0.74 ACLY (0.53) BRD4PIK3CD
SCHEMBL24762249 0.62 MEN1 (0.46) IKBKBCHUKCYP1A2
SCHEMBL27324089 0.62 RAB9A (0.39) —
SCHEMBL29337991 0.61 IKBKB (0.44) IKBKBCHUKBRD4IMPDH2IMPDH1
SCHEMBL20691429 0.61 ENPP2 (0.41) CLK4
SCHEMBL18724638 0.61 ENPP2 (0.41) CLK4
SCHEMBL17970229 0.61 ENPP2 (0.41) CLK4
SCHEMBL1748919 0.61 MEN1 (0.48) IKBKBCHUKCYP1A1CYP1A2CYP1B1
SCHEMBL103841 0.61 P4HB (0.55) P4HB

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
WO-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 — — WO disclosed
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