SCHEMBL4797339

SCHEMBL4797339

Cc1ccc(S(=O)(=O)c2ccc(N)c(S(=O)(=O)c3ccc(C)cc3)c2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
RAPGEF4 Q8WZA2 1/20 0.49
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL2367812 0.78 RAPGEF4 (0.51) GAARAPGEF4KMT2AKDM4EALDH1A1
SCHEMBL2068967 0.77 KMT2A (0.53) GAARAPGEF4KMT2AKDM4EALDH1A1
SCHEMBL9818407 0.77 GAA (0.56) GAARAPGEF4KMT2AKDM4EALDH1A1
SCHEMBL3653050 0.74 GAA (0.52) GAARAPGEF4KMT2AKDM4EALDH1A1
SCHEMBL2004711 0.73 HTR6 (0.71) GAARAPGEF4KMT2AKDM4EALDH1A1
SCHEMBL9722812 0.72 CA2 (0.57) GAARAPGEF4KMT2AKDM4EALDH1A1
SCHEMBL8059962 0.72 GAA (0.60) GAARAPGEF4KMT2AKDM4EALDH1A1
SCHEMBL29204880 0.71 GAA (0.48) GAAKMT2AKDM4EALDH1A1MEN1
SCHEMBL17774540 0.71 GAA (0.50) GAARAPGEF4KMT2AKDM4EALDH1A1
SCHEMBL9299326 0.71 ALDH1A1 (0.51) GAARAPGEF4KMT2AKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128978-A1 Diepoxide derivatives of N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 US claimed
US-20080312404-A1 Novel diepoxides and epoxy resins PEWS R GARTH 2008-12-18 US disclosed
US-7462728-B2 Diepoxide derivatives of N,N*-disubstituted disulfonamides PEWS R GARTH 2008-12-09 US disclosed
US-20060128978-A1 Diepoxide derivatives of N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 US disclosed