SCHEMBL11516665

SCHEMBL11516665

CNC(=S)N1CCc2[nH]cnc2C1c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
AOC3 Q16853 2/20 0.45
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.35

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
SCHEMBL11515083 0.88 RAB9A (0.44) MAPTKDM4EAOC3ALDH1A1KMT2A
SCHEMBL11517124 0.87 AOC3 (0.37) MAPTKDM4EAOC3ALDH1A1KMT2A
SCHEMBL11517581 0.81 AOC3 (0.52) KDM4EAOC3
SCHEMBL11516126 0.78 AOC3 (0.37) MAPTKDM4EAOC3ALDH1A1KMT2A
SCHEMBL11516376 0.77 SMN1; SMN2 (0.41) MAPTKDM4EAOC3ALDH1A1KMT2A
SCHEMBL11516190 0.76 AOC3 (0.45) MAPTKDM4EAOC3ALDH1A1KMT2A
SCHEMBL11515027 0.74 AOC3 (0.47) KDM4EAOC3SMN1; SMN2RAB9A
SCHEMBL11514454 0.72 AOC3 (0.53) AOC3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL11515470 0.72 SMN1; SMN2 (0.39) AOC3KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL11516954 0.70 AOC3 (0.34) AOC3ALDH1A1KMT2AMEN1SMN1; 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 1 patent. 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 disclosed