SCHEMBL21317697

SCHEMBL21317697

C=CCON1C(=O)N(C(C)CNS)CC1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL20028866 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL18745289 0.63
SCHEMBL20006906 0.62 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22237522 0.62 ALDH1A1 (0.34) ALDH1A1
SCHEMBL18121595 0.62
SCHEMBL15320720 0.62 GAA (0.32) GAA
SCHEMBL19058011 0.59 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18745282 0.58 ALDH1A1 (0.31) ALDH1A1
SCHEMBL22552939 0.56 ALDH1A1 (0.37) ALDH1A1
SCHEMBL19752946 0.56 ALDH1A1 (0.32) ALDH1A1

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-3292125-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2019-09-04 EP disclosed