SCHEMBL8705100

SCHEMBL8705100

CC(=O)On1c(=O)n(S(=O)(=O)c2cccnc2)c(=O)c2ccc(Cl)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
USP2 O75604 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAT2A P31153 8/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PRMT5 O14744 2/20 0.36
CYP3A4 P08684 1/20 0.36
MCL1 Q07820 3/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL8707541 0.88 PPARG (0.43) HTTTSHR
SCHEMBL8700597 0.83 PPARG (0.44) HTTNPSR1TSHR
SCHEMBL8705373 0.81 PPARG (0.47)
SCHEMBL8704328 0.80 CMA1 (0.35) MCL1
SCHEMBL7468725 0.79 HTT (0.38) HTTUSP2NPSR1MAT2ASMN1; SMN2
SCHEMBL7472775 0.79 AKR1B1 (0.44) HTTUSP2NPSR1MAT2ASMN1; SMN2
SCHEMBL7461621 0.78 KDM4E (0.38) HTTUSP2NPSR1MAT2APRMT5
SCHEMBL8705102 0.76 GAA (0.38) USP2NPSR1SMN1; SMN2
SCHEMBL7468729 0.75 MAPT (0.46) SMN1; SMN2TSHR
SCHEMBL7457272 0.75 NOD1 (0.37) HTTUSP2NPSR1MAT2APRMT5

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-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed