SCHEMBL11516657

SCHEMBL11516657

CC(C)NC(=S)N1CCc2[nH]cnc2C1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.52
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
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
SCHEMBL11514454 0.89 AOC3 (0.53) AOC3SMN1; SMN2
SCHEMBL11516578 0.86 AOC3 (0.58) AOC3SMN1; SMN2
SCHEMBL11515919 0.83 AOC3 (0.41) AOC3LMNASMN1; SMN2
SCHEMBL11516186 0.81 AOC3 (0.37) AOC3LMNASMN1; SMN2ALDH1A1
SCHEMBL11516190 0.80 AOC3 (0.45) AOC3LMNASMN1; SMN2ALDH1A1
SCHEMBL12094922 0.79 AOC3 (0.65) AOC3LMNASMN1; SMN2ALDH1A1
SCHEMBL1973686 0.79 AOC3 (0.65) AOC3LMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL18173566 0.78 AOC3 (0.64) AOC3LMNASMN1; SMN2ALDH1A1
SCHEMBL18173571 0.77 AOC3 (0.59) AOC3
Phosphoric Acid SCHEMBL18173592 0.75 AOC3 (0.60) AOC3SMN1; SMN2ALDH1A1

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-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US claimed
US-4141899-A ANTIULCER, ANTISECRETORY SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1979-02-27 US disclosed