SCHEMBL8010691

SCHEMBL8010691

COC(=O)c1ccc(S(=O)(=O)NC(=O)C(C#N)=C2NS(=O)(=O)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
USP2 O75604 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP2C9 P11712 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL8010715 0.90 CA12 (0.40) HSD11B1FLT1FLT4KDRMEN1
SCHEMBL8009035 0.89 HSD11B1 (0.36) HSD11B1MEN1KMT2AUSP2ALDH1A1
SCHEMBL8007957 0.88 ALDH1A1 (0.41) HSD11B1KMT2AUSP2PTGS2ALDH1A1
SCHEMBL2744207 0.87 HSD11B1 (0.43) HSD11B1KMT2AUSP2PTGS2ALDH1A1
SCHEMBL8014575 0.86 HSD11B1 (0.38) HSD11B1MEN1KMT2AUSP2PTGS2
SCHEMBL8011292 0.85 KMT2A (0.41) HSD11B1MEN1KMT2AUSP2ALDH1A1
SCHEMBL8008055 0.85 FLT1 (0.41) HSD11B1FLT1FLT4KDRMEN1
SCHEMBL7998786 0.84 HSD11B1 (0.36) HSD11B1MEN1KMT2AUSP2ALDH1A1
SCHEMBL7998848 0.80 HSD11B1 (0.38) HSD11B1MEN1KMT2AUSP2PTGS2
SCHEMBL8008194 0.79 FBP1 (0.41) FLT1FLT4KDRMEN1KMT2A

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
US-6165668-A N-[2-(1,2-benzisothiazol-3(2H)-ylidene 1,1-dioxide)-2-cyanoacetyl]benzenesulfonamide charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2000-12-26 US disclosed