SCHEMBL29764483

SCHEMBL29764483

O=C(O)c1ccc(Cl)c2cc[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
CSNK2A2 P19784 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A1 P68400 2/20 0.46
AURKA O14965 2/20 0.46
TPX2 Q9ULW0 2/20 0.46
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADRA2A P08913 1/20 0.40
CLCN2 P51788 1/20 0.40
BTK Q06187 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
DPP4 P27487 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5187984 1.00 KEAP1 (0.49) KEAP1CSNK2A2CSNK2BCSNK2A1AURKA
SCHEMBL27205515 0.85 CSNK2A2 (0.46) KEAP1CSNK2A2CSNK2BCSNK2A1AURKA
SCHEMBL11660386 0.84 KEAP1 (0.55) KEAP1AURKATPX2ALDH1A1SMN1; SMN2
SCHEMBL15826472 0.84 P2RX7 (0.41) CSNK2A2CSNK2BCSNK2A1AURKATPX2
SCHEMBL22927191 0.82 AURKA (0.38) CSNK2A2CSNK2BCSNK2A1AURKATPX2
SCHEMBL16382729 0.80 NR4A2 (0.50) ALDH1A1SMN1; SMN2KDM4EKMT2A
Acetic Acid SCHEMBL27953393 0.79 CREBBP (0.41) CSNK2A2CSNK2BCSNK2A1AURKATPX2
SCHEMBL2768819 0.78 KEAP1 (0.49) KEAP1CSNK2A2CSNK2BCSNK2A1AURKA
SCHEMBL2382490 0.78 KEAP1 (0.49) KEAP1AURKATPX2SMN1; SMN2BTK
SCHEMBL5187097 0.78 KEAP1 (0.49) KEAP1AURKATPX2SMN1; SMN2ADRA2A

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