SCHEMBL8705696

SCHEMBL8705696

COC(=O)c1cc(S(C)(=O)=O)c(-n2cccn2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
SLC9A3 P48764 1/20 0.43
SLC9A2 Q9UBY0 1/20 0.43
MAPT P10636 5/20 0.42
KAT6A Q92794 2/20 0.39
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR1I2 O75469 1/20 0.37
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6927272 0.81 SLC9A1 (0.63) SLC9A1SLC9A3SLC9A2MAPTKDM4E
SCHEMBL8446172 0.80 SLC9A1 (0.69) SLC9A1SLC9A3SLC9A2
SCHEMBL8706120 0.78 SLC9A1 (0.40) SLC9A1SLC9A3SLC9A2NR1I2
SCHEMBL8706213 0.78 HTT (0.47) SLC9A1SLC9A3SLC9A2MAPTLMNA
SCHEMBL6749760 0.75 SLC9A1 (0.54) SLC9A1MAPTKDM4EALDH1A1
SCHEMBL8700586 0.75 SLC9A1 (0.50) SLC9A1SLC9A3SLC9A2MAPTKDM4E
SCHEMBL8705825 0.74 KDM4E (0.48) SLC9A1SLC9A3SLC9A2KDM4ETSHR
SCHEMBL8580625 0.74 SLC9A1 (0.45) SLC9A1MAPTKDM4EALDH1A1
SCHEMBL1784767 0.73 HCAR1 (0.41) MAPTKDM4EALOX15TSHRMEN1
SCHEMBL8630823 0.73 KDM4E (0.50) SLC9A1SLC9A3SLC9A2KDM4ETSHR

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed