SCHEMBL9313752

SCHEMBL9313752

CCN(CC)CCSc1nn[c]s1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
SLC2A1 P11166 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL7312041 0.82 HTR7 (0.47) SMN1; SMN2KDM4EHTR7
SCHEMBL11667959 0.76 PTGS2 (0.55) PTGS2SMN1; SMN2KDM4ESLC2A1HTR7
SCHEMBL465879 0.75
SCHEMBL8564222 0.74 ALDH1A1 (0.51) SMN1; SMN2
SCHEMBL11188885 0.72
SCHEMBL7302477 0.69 HRH4 (0.31)
SCHEMBL8475778 0.69 ALDH1A1 (0.59) PTGS2SMN1; SMN2
SCHEMBL11684042 0.67
SCHEMBL11683972 0.64 GAA (0.41) SMN1; SMN2KDM4E
SCHEMBL343346 0.64

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-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed