SCHEMBL10692809

SCHEMBL10692809

NCCc1ccc(NN)cc1S(=O)(=O)CCS(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.32
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
RAD51 Q06609 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
APP P05067 1/20 0.30
RAPGEF4 Q8WZA2 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
SCHEMBL10694766 0.92 APP (0.35) HTR6LMNASLC6A6CYP2C19BLM
SCHEMBL10691584 0.80 KDM4E (0.32) LMNA
SCHEMBL10335817 0.77 RAD51 (0.33) RAD51
SCHEMBL9079841 0.76 EGFR (0.41) LMNABLMRAD51CA12CA1
SCHEMBL11233324 0.69 CA12 (0.40) LMNACA12CA1CA2CA4
SCHEMBL10696297 0.65 RAPGEF4 (0.68) BLMCYP2D6CA1CA2APP
SCHEMBL6234002 0.64 RAPGEF4 (0.47) BLMRAPGEF4
SCHEMBL10692797 0.64 RAPGEF4 (0.41) LMNASLC6A6CYP2C19BLMCYP2D6
SCHEMBL9717209 0.63 RAPGEF4 (0.42) CA12CA1CA2CA4CA6
SCHEMBL1807072 0.63 ALDH1A1 (0.44) HTR6LMNACYP2C19BLMCYP2D6

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