SCHEMBL7998848

SCHEMBL7998848

Cc1c(C)c(C)c(S(=O)(=O)NC(=O)C(C#N)=C2NS(=O)(=O)c3ccccc32)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
KDM4E B2RXH2 2/20 0.37
USP2 O75604 2/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
PTGES O14684 4/20 0.34
PTGS2 P35354 2/20 0.34

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
SCHEMBL8019091 0.93 KDM4E (0.37) HSD11B1KDM4EUSP2KMT2ACA12
SCHEMBL7999780 0.88 KDM4E (0.39) HSD11B1KDM4EUSP2KMT2ACA12
SCHEMBL8007957 0.86 ALDH1A1 (0.41) HSD11B1KDM4EUSP2KMT2ACA12
SCHEMBL2744207 0.85 HSD11B1 (0.43) HSD11B1KDM4EUSP2KMT2ACA12
SCHEMBL8014575 0.82 HSD11B1 (0.38) HSD11B1KDM4EUSP2KMT2ACA12
SCHEMBL8010715 0.82 CA12 (0.40) HSD11B1KDM4EUSP2KMT2ACA12
SCHEMBL7998459 0.81 CA1 (0.38) HSD11B1KDM4EUSP2KMT2ACA12
SCHEMBL8008055 0.81 FLT1 (0.41) HSD11B1KMT2APTGESPTGS2ALPL
SCHEMBL8011292 0.81 KMT2A (0.41) HSD11B1KDM4EUSP2KMT2ACA12
SCHEMBL8009035 0.81 HSD11B1 (0.36) HSD11B1KDM4EUSP2KMT2ACA12

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