SCHEMBL10691817

SCHEMBL10691817

NCCOc1ccc(N)cc1S(=O)(=O)CCS(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 3/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 3/20 0.35
CASP1 P29466 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 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
SCHEMBL8164591 0.84 HSD17B10 (0.45) HSD17B10KDM4EALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL9812898 0.82 HSD17B10 (0.44) HSD17B10KDM4EALDH1A1POLBGAA
SCHEMBL9414558 0.81 MAPT (0.41) HSD17B10KDM4EALDH1A1GAAMAPT
SCHEMBL9138757 0.79 HSD17B10 (0.39) HSD17B10KDM4EALDH1A1POLBGAA
SCHEMBL10581528 0.78 CA2 (0.43) HSD17B10KDM4EALDH1A1POLBGAA
SCHEMBL10477944 0.77 HSD17B10 (0.44) HSD17B10KDM4EALDH1A1POLBGAA
SCHEMBL10691812 0.76 HSD17B10 (0.37) HSD17B10KDM4EALDH1A1POLBGAA
SCHEMBL10696544 0.75 RAPGEF4 (0.36) HSD17B10KDM4EALDH1A1POLBGAA
SCHEMBL11670686 0.74 HSD17B10 (0.51) HSD17B10KDM4EALDH1A1POLBGAA
SCHEMBL10884624 0.73 ALDH1A1 (0.56) HSD17B10KDM4EALDH1A1POLBGAA

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