SCHEMBL11208970

SCHEMBL11208970

O=C(O)N(CCCCS)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.45
CNR2 P34972 1/20 0.45
HDAC1 Q13547 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX5 P09917 1/20 0.44
FOLH1 Q04609 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL21628078 0.89 REN (0.56) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL671194 0.84 REN (0.55) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL13723381 0.82 REN (0.54) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL16333819 0.82 REN (0.54) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL901839 0.82 REN (0.50) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL4207867 0.81 HDAC1 (0.57) RENMEN1KMT2ALMNAALDH1A1
SCHEMBL15546987 0.81 CNR2 (0.64) LMNACNR2HDAC1
SCHEMBL8773510 0.81 CNR2 (0.64) LMNACNR2HDAC1
SCHEMBL3795459 0.81 MC4R (0.61) REN
SCHEMBL27075772 0.81 MC4R (0.61) REN

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
EP-0043564-B1 MIXTURES OF N,N-DI-SEC.BUTYLTHIOCARBAMATE OF BENZYL AND 3-CYCLOHEXYL-5,6-TRIMETHYLENEURACYL USEFUL IN THE WEEDING OF BEETS Montedison S.p.A. (IT) 1983-05-11 EP disclosed
EP-0043564-A1 Mixtures of N,N-di-sec.butylthiocarbamate of benzyl and 3-cyclohexyl-5,6-trimethyleneuracyl useful in the weeding of beets Montedison S.p.A. (IT) 1982-01-13 EP disclosed