SCHEMBL10694766

SCHEMBL10694766

NCCCc1ccc(NN)cc1S(=O)(=O)CCS(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
HTR6 P50406 1/20 0.30
CA2 P00918 1/20 0.30
RAD51 Q06609 1/20 0.30
LMNA P02545 1/20 0.30
SLC6A6 P31641 1/20 0.30
CYP2C19 P33261 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL10692809 0.92 HTR6 (0.32) APPHTR6CA2RAD51LMNA
SCHEMBL10691584 0.78 KDM4E (0.32) LMNA
SCHEMBL10335817 0.75 RAD51 (0.33) RAD51
SCHEMBL9079841 0.74 EGFR (0.41) CA2RAD51LMNABLM
SCHEMBL11233324 0.67 CA12 (0.40) CA2LMNA
SCHEMBL5170316 0.66 APP (0.48) APPHTR6LMNASLC6A6CYP2C19
SCHEMBL1805939 0.65 CA2 (0.42) HTR6CA2LMNACYP2C19
SCHEMBL11479053 0.65 RAPGEF4 (0.44) CA2
SCHEMBL10693379 0.63 APP (0.33) APP
SCHEMBL10694725 0.63 RAPGEF4 (0.40) APP

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