SCHEMBL11377705

SCHEMBL11377705

CCCCS(=O)(=O)c1ncn(C(=O)N(CC)CCOCC)n1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
MMP1 P03956 1/20 0.31
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL11369058 0.97 THRB (0.34) DPP4ALDH1A1MAPTHTTMMP1
SCHEMBL11380948 0.94 KDM4E (0.33) DPP4ALDH1A1MAPTHTTMMP1
SCHEMBL11373891 0.94 AHR (0.34) DPP4ALDH1A1MAPTHTTMMP1
SCHEMBL11373027 0.94 DPP4 (0.34) DPP4ALDH1A1MAPTHTTMMP1
SCHEMBL11382975 0.93 DPP4 (0.33) DPP4ALDH1A1MAPTHTTMMP1
SCHEMBL11372328 0.93 DPP4 (0.34) DPP4
SCHEMBL11368973 0.92 DPP4 (0.32) DPP4ALDH1A1MAPTHTTMMP1
SCHEMBL11382052 0.91 THRB (0.33) DPP4ALDH1A1MAPTHTTTHRA
SCHEMBL11372454 0.91 DPP4 (0.34) DPP4ALDH1A1MAPTHTTTHRA
SCHEMBL11365385 0.91 ALDH1A1 (0.34) DPP4ALDH1A1MAPTHTTTHRA

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-4251262-A 1-Carbamoyl-1,2,4-triazole herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1981-02-17 US disclosed