SCHEMBL11515470

SCHEMBL11515470

CCC1c2nc[nH]c2CCN1C(=S)NC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
AOC3 Q16853 3/20 0.38
LMNA P02545 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL11516165 0.85 AOC3 (0.43) MEN1KMT2AAOC3RAB9A
SCHEMBL11517251 0.84 MAPT (0.38) SMN1; SMN2MEN1KMT2AAOC3LMNA
SCHEMBL11515938 0.83 MAPT (0.41) MEN1KMT2AAOC3LMNA
SCHEMBL11514454 0.80 AOC3 (0.53) SMN1; SMN2MEN1KMT2AAOC3RAB9A
SCHEMBL11517525 0.79 AOC3 (0.38) AOC3
Hydrochloric Acid SCHEMBL11514974 0.78 AOC3 (0.39) AOC3RAB9A
Bromide SCHEMBL11516455 0.78 AOC3 (0.37) AOC3
SCHEMBL11516954 0.77 AOC3 (0.34) SMN1; SMN2MEN1KMT2AAOC3
SCHEMBL11517124 0.76 AOC3 (0.37) SMN1; SMN2MEN1KMT2AAOC3LMNA
SCHEMBL12082694 0.75 AOC3 (0.36) AOC3LMNARAB9A

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