SCHEMBL8045172

SCHEMBL8045172

CCc1cc2c(cc1C(=O)OC)S(=O)(=O)CC2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 6/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
MAOA P21397 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.32
GLA P06280 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32
KMT2A Q03164 3/20 0.32
MEN1 O00255 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
SCHEMBL8058163 0.86 CTSL (0.37) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8062968 0.85 ALDH1A1 (0.33) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8057061 0.83 KDM4E (0.36) VEGFATSHRALDH1A1KDM4EHSD17B10
SCHEMBL8058145 0.83 CTSL (0.32) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8058144 0.83 CTSL (0.32) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8058193 0.82 VEGFA (0.41) VEGFATSHRALDH1A1KDM4EHSD17B10
SCHEMBL8060842 0.82 CTSL (0.32) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8060841 0.82 CTSL (0.32) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8045078 0.80 MAPT (0.35) TSHRALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8062934 0.80 TSHR (0.35) TSHRALDH1A1KDM4EHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028069-A Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) 2000-02-22 US disclosed