SCHEMBL15045178

SCHEMBL15045178

NCCS(=O)(=O)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
SLC6A6 P31641 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
LOXL2 Q9Y4K0 3/20 0.34
LOX P28300 1/20 0.34
APLNR P35414 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 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
SCHEMBL22655810 0.90
Hydrochloric Acid SCHEMBL21195540 0.87 LMNA (0.38) LMNASLC6A6CYP2C19BLMALDH1A1
SCHEMBL778711 0.79 ALOX5AP (0.31)
Hydrochloric Acid SCHEMBL21195756 0.78 LMNA (0.31) LMNASLC6A6CYP2C19BLM
SCHEMBL777574 0.77 CA1 (0.33) LOXL2LOXCA1CA2
SCHEMBL2951024 0.75 CA1 (0.32) LOXL2LOXCA1CA2
SCHEMBL4444807 0.75
SCHEMBL8134289 0.75 MMP1 (0.33) APLNRALDH1A1CA1CA2
SCHEMBL8142390 0.73 CA12 (0.33) LOXL2LOXCA1CA2
SCHEMBL20714713 0.71 MMP1 (0.38) LMNAALDH1A1HPGD

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
EP-2604601-A1 HETERO RING COMPOUND Astellas Pharma Inc. (JP) 2013-06-19 EP disclosed