SCHEMBL28786018

SCHEMBL28786018

CCS(=O)(=O)ONC(=N)N

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
BLM P54132 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL27532114 0.81
SCHEMBL27959208 0.80 CA2 (0.37)
SCHEMBL6335517 0.78 CA2 (0.40)
SCHEMBL27723464 0.78 ALOX15 (0.35) LMNABLM
SCHEMBL16516346 0.77 KDM4E (0.32) LMNAKDM4E
SCHEMBL28322075 0.76 TAS2R38 (0.32)
SCHEMBL2136922 0.75
SCHEMBL10412203 0.73
SCHEMBL6662338 0.72
SCHEMBL11344440 0.72

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101953824-B Application of taurine and pharmaceutically acceptable salt thereof in preparing uterine contraction inhibition drug UNIV CHINA AGRICULTURAL 2012-12-19 CN disclosed
CN-101953824-A Application of taurine and pharmaceutically acceptable salt thereof to preparing uterine contraction inhibition drug UNIV CHINA AGRICULTURAL 2011-01-26 CN disclosed