SCHEMBL11740967

SCHEMBL11740967

CC(C(N)=O)n1c(=O)sc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL10664881 0.86 SLC6A2 (0.50) SLC6A2SLC6A4L3MBTL1HTTSMN1; SMN2
SCHEMBL4616539 0.82 SLC6A2 (0.51) SLC6A2SLC6A4L3MBTL1HTTSMN1; SMN2
SCHEMBL4614754 0.80 SLC6A2 (0.50) SLC6A2SLC6A4L3MBTL1HTTSMN1; SMN2
SCHEMBL5956419 0.80 SLC6A2 (0.52) SLC6A2SLC6A4L3MBTL1HTTSMN1; SMN2
SCHEMBL11741513 0.80 TDP1 (0.50) SLC6A2SLC6A4L3MBTL1HTTSMN1; SMN2
SCHEMBL30361128 0.80 CNR2 (0.41) LMNA
SCHEMBL14035063 0.80 CNR2 (0.41) TSHR
SCHEMBL2335419 0.80 CNR2 (0.41) LMNA
SCHEMBL11070894 0.74 SLC6A2 (0.48) SLC6A2SLC6A4L3MBTL1SMN1; SMN2TSHR
SCHEMBL11739205 0.74 SLC6A2 (0.48) SLC6A2SLC6A4L3MBTL1HTTSMN1; 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-4049419-A SOYBEAN PLANTS MONSANTO COMPANY (US) 1977-09-20 US disclosed