SCHEMBL6684683

SCHEMBL6684683

C=CC(=O)NCC(NC)NC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
TGM2 P21980 2/20 0.35
GAA P10253 1/20 0.31
GFPT1 Q06210 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
SCHEMBL28708233 0.81 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL10593562 0.78 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
Hydrochloric Acid SCHEMBL406599 0.78 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL18755013 0.77 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL372689 0.77
SCHEMBL12723737 0.77 TSHR (0.59) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL7744606 0.76 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17267140 0.76
SCHEMBL14901 0.76
SCHEMBL10350868 0.76

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
US-6751491-B2 BIOSENSOR SYSTEM INCLUDING IMPLANTABLE ANALYTE-SENSITIVE HYDROGEL SLAB, DISPLACEMENT VOLUME OF WHICH VARIES WITH CHANGES IN CONCENTRATION OF ANALYTE IN BODY FLUID, SCANNING MEANS QUANTIFIABLY DETECTING CHANGES BY CAPTURING SLAB IMAGE GENSEN TECHNOLOGIES, INC. 2004-06-15 US claimed
US-20030100822-A1 Analyte measuring biosensor chip using image scanning system GENSEN TECHNOLOGIES, INC. 2003-05-29 US claimed