SCHEMBL11515919

SCHEMBL11515919

CCC1c2nc[nH]c2CCN1C(=S)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.41
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL11515667 0.87 AOC3 (0.46) AOC3SMN1; SMN2
SCHEMBL11515470 0.86 SMN1; SMN2 (0.39) AOC3LMNASMN1; SMN2
SCHEMBL11516657 0.83 AOC3 (0.52) AOC3LMNASMN1; SMN2
SCHEMBL11517251 0.81 MAPT (0.38) AOC3LMNASMN1; SMN2
SCHEMBL11515938 0.81 MAPT (0.41) AOC3LMNA
SCHEMBL11516186 0.79 AOC3 (0.37) AOC3LMNASMN1; SMN2
SCHEMBL11516190 0.78 AOC3 (0.45) AOC3LMNASMN1; SMN2
SCHEMBL11483555 0.78 LMNA (0.34) LMNASMN1; SMN2
SCHEMBL11516165 0.77 AOC3 (0.43) AOC3
SCHEMBL11491448 0.76 DPP4 (0.35) LMNASMN1; SMN2

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