SCHEMBL8740349

SCHEMBL8740349

CCCN(N)C(=S)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.43
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL21051277 0.79
Hydrochloric Acid SCHEMBL6996458 0.77 TAS2R38 (0.45) TAS2R38CA12CA1CA2CA9
SCHEMBL14724314 0.74
SCHEMBL1488882 0.74
SCHEMBL14617690 0.74 TAS2R38 (0.47) TAS2R38CA12CA1CA2CA9
SCHEMBL929440 0.70 CA12 (0.36) CA12CA1CA2CA9
SCHEMBL8491869 0.69 ALDH1A1 (0.47) TAS2R38CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL10752954 0.68 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL26407897 0.67 CA12 (0.46) TAS2R38CA12CA1CA2CA9
SCHEMBL10443252 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0669002-A4 N-TERMINAL SEQUENCING OF PROTEINS AND PEPTIDES. HOPE CITY (US) 1997-12-10 EP disclosed
EP-0669002-A1 N-TERMINAL SEQUENCING OF PROTEINS AND PEPTIDES CITY OF HOPE (US) 1995-08-30 EP disclosed
US-5432091-A N-terminal sequencing of proteins and peptides CITY OF HOPE (US) 1995-07-11 US disclosed
WO-1995008119-A1 N-TERMINAL SEQUENCING OF PROTEINS AND PEPTIDES CITY OF HOPE (US) 1995-03-23 WO disclosed