SCHEMBL10691724

SCHEMBL10691724

NCC(O)CNc1ccc(N)cc1S(=O)(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.39
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
RECQL P46063 2/20 0.35
CASP6 P55212 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NSD2 O96028 2/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
GBA1 P04062 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ELAVL1 Q15717 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
SCHEMBL10689352 0.85 RAPGEF4 (0.38) APEX1ALDH1A1KDM4EPOLBGAA
SCHEMBL9809133 0.83 APEX1 (0.42) APEX1ALDH1A1KDM4EPOLBGAA
SCHEMBL11109642 0.81 RAPGEF4 (0.52) APEX1ALDH1A1KDM4EPOLBGAA
SCHEMBL9809130 0.77 APEX1 (0.41) APEX1ALDH1A1KDM4EPOLBGAA
SCHEMBL9809126 0.76 RECQL (0.40) APEX1ALDH1A1KDM4EPOLBGAA
SCHEMBL10486552 0.73 MME (0.34) APEX1ALDH1A1KDM4EPOLBGAA
SCHEMBL10636701 0.73 MAPT (0.39) APEX1ALDH1A1KDM4EPOLBGAA
SCHEMBL10389146 0.71 POLB (0.40) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL10486519 0.71 L3MBTL1 (0.36) APEX1ALDH1A1KDM4EPOLBGAA
SCHEMBL10694815 0.70 RAPGEF4 (0.55) APEX1ALDH1A1KDM4EPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4785099-A FIBER-REACTIVE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0229339-A2 Water soluble triphene dioxazine compounds, their starting compounds containing sulphonyl groups, process for their preparation and use of the triphene dioxazines as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-22 EP disclosed