SCHEMBL7998787

SCHEMBL7998787

CC(C)(C)c1cc(S(=O)(=O)NC(=O)C(C#N)=C2NS(=O)(=O)c3ccccc32)cc(C(C)(C)C)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
PTGES O14684 2/20 0.33
PTGS2 P35354 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 2/20 0.32
MEN1 O00255 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
BCHE P06276 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL2744207 0.83 HSD11B1 (0.43) HSD11B1PTGESPTGS2KDM4EALDH1A1
SCHEMBL8014575 0.83 HSD11B1 (0.38) HSD11B1PTGESPTGS2KDM4EALDH1A1
SCHEMBL8007957 0.82 ALDH1A1 (0.41) HSD11B1PTGESPTGS2KDM4EALDH1A1
SCHEMBL8010715 0.80 CA12 (0.40) HSD11B1KDM4EALDH1A1KMT2AUSP2
SCHEMBL7999780 0.80 KDM4E (0.39) HSD11B1PTGESKDM4EALDH1A1HSD17B10
SCHEMBL7998459 0.80 CA1 (0.38) HSD11B1PTGESKDM4EALDH1A1KMT2A
SCHEMBL8011292 0.80 KMT2A (0.41) HSD11B1PTGESKDM4EALDH1A1HSD17B10
SCHEMBL8008055 0.80 FLT1 (0.41) HSD11B1PTGESPTGS2KMT2AMEN1
SCHEMBL8008194 0.79 FBP1 (0.41) PTGESPTGS2KDM4EHSD17B10KMT2A
SCHEMBL7999074 0.79 ALPL (0.43) ALDH1A1HSD17B10KMT2AMEN1CA1

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