SCHEMBL6138832

SCHEMBL6138832

O=C(O)N(S)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
ALOX5 P09917 5/20 0.49
KEAP1 Q14145 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
AOC3 Q16853 1/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC1 Q13547 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL525788 0.84 MEN1 (0.49) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL28643707 0.80 NPC1 (0.50) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL4333356 0.78 KMT2A (0.55) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL5933377 0.78 TDP1 (0.66) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL1520687 0.77 ALOX5 (0.65) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL7228409 0.75 MEN1 (0.61) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL2018404 0.75 TDP1 (0.52) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL1206390 0.75 AOC3 (0.55) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL5933140 0.75 TDP1 (0.61) KMT2ATDP1MEN1NPC1RAB9A
SCHEMBL11064075 0.75 KMT2A (0.56) KMT2ATDP1MEN1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311477-A4 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2005-01-12 EP disclosed
EP-1311477-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-05-21 EP disclosed
WO-2002016317-A1 NOVEL THIOCARBAMIC ACID DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 WO disclosed