SCHEMBL8706166

SCHEMBL8706166

CCc1cc(-n2cc(C)nc2C)c(S(C)(=O)=O)cc1C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLP1R P43220 1/20 0.33
NR1H2 P55055 2/20 0.33
NR3C1 P04150 1/20 0.32
NR3C2 P08235 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8703753 0.91 NR3C1 (0.33) MAPTKDM4EKMT2ANPSR1GLP1R
SCHEMBL8705953 0.85 NR1I2 (0.40) MAPTKDM4EKMT2ANPSR1MAPK1
SCHEMBL8705223 0.85 NR3C1 (0.37) MAPTKDM4EKMT2ANPSR1NR1H2
SCHEMBL8702046 0.85 KDM4E (0.39) MAPTKDM4ENPSR1
SCHEMBL8704520 0.83 SLC9A1 (0.31)
SCHEMBL8699344 0.83 GAA (0.42) MAPTKDM4EKMT2ANPSR1SMN1; SMN2
SCHEMBL8704804 0.83 MAPT (0.33) MAPTKDM4EKMT2ANPSR1NR3C1
SCHEMBL8705360 0.82 MAPT (0.33) MAPTKDM4EKMT2ANPSR1NR1H2
SCHEMBL8705762 0.82 SDHB (0.37) MAPTPTGS2NR1H2
SCHEMBL8446137 0.81 SLC9A1 (0.48)

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