SCHEMBL11515938

SCHEMBL11515938

C=CCNC(=S)N1CCc2[nH]cnc2C1CC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
AOC3 Q16853 3/20 0.35
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL11515470 0.83 SMN1; SMN2 (0.39) MEN1KMT2AAOC3LMNA
SCHEMBL11517251 0.83 MAPT (0.38) MAPTGAAMEN1KMT2AAOC3
Hydrochloric Acid SCHEMBL11514974 0.72 AOC3 (0.39) AOC3POLBALDH1A1
SCHEMBL11518462 0.71 MAPT (0.43) MAPTGAAMEN1KMT2ALMNA
SCHEMBL11517525 0.71 AOC3 (0.38) AOC3
Bromide SCHEMBL11516455 0.70 AOC3 (0.37) AOC3
SCHEMBL12082694 0.70 AOC3 (0.36) AOC3LMNAPOLBALDH1A1
Bromide SCHEMBL11517894 0.68 AOC3 (0.40) AOC3
Trifluoroacetic Acid SCHEMBL7530146 0.68 AOC3 (0.45) AOC3POLBALDH1A1
SCHEMBL7534337 0.67 AOC3 (0.56) MAPTAOC3LMNAPOLBKDM4E

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