SCHEMBL8628722

SCHEMBL8628722

NP(N)(=O)NC(=O)Cc1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
RAB9A P51151 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 2/20 0.45
GLS O94925 2/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
ESR2 Q92731 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC1 Q13547 1/20 0.40

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
SCHEMBL1129020 0.79 POLB (0.54) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL8353449 0.79 RAB9A (0.58) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL26333098 0.75 POLB (0.54) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL11426614 0.75 MEN1 (0.57) POLBKMT2AMEN1MAPTHDAC6
SCHEMBL7271626 0.75 POLB (0.54) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL12846059 0.72 TDP1 (0.56) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL259981 0.72 TDP1 (0.52) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL3590003 0.72 RAB9A (0.51) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL28910954 0.72 RAB9A (0.59) POLBRAB9ATDP1NPC1KMT2A
SCHEMBL1189465 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO disclosed
EP-0852498-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011705-A1 PHOSPHORYLAMIDES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed