SCHEMBL8632005

SCHEMBL8632005

Cc1c(C(=O)O)csc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.42
TSHR P16473 1/20 0.42
GSK3B P49841 1/20 0.40
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.36
RECQL P46063 1/20 0.36
ESR2 Q92731 1/20 0.36
GPR35 Q9HC97 1/20 0.36

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
SCHEMBL18499644 0.83 GSK3B (0.40) DAOGSK3BMAPTHPGDNPC1
SCHEMBL8630022 0.81 GSK3B (0.39) GSK3BMAPTHPGDNPC1RAB9A
SCHEMBL14485339 0.77 TSHR (0.45) DAOTSHRMAPTHPGDNPC1
SCHEMBL5489140 0.77 DAO (0.45) DAOTSHRGSK3BSMN1; SMN2GPR35
SCHEMBL2808786 0.76 GSK3B (0.50) DAOTSHRGSK3BMAPTMEN1
SCHEMBL8083734 0.76 TSHR (0.43) DAOTSHRGSK3BMAPTHPGD
SCHEMBL18701630 0.76 DAO (0.43) DAOTSHRGSK3BSMN1; SMN2MEN1
SCHEMBL5484511 0.76 DAO (0.43) DAOTSHRGSK3BSMN1; SMN2GPR35
SCHEMBL8630644 0.75 TSHR (0.48) TSHRMAPTNPC1RAB9AMEN1
SCHEMBL18556172 0.74 KMT2A (0.44) DAOTSHRGSK3BMAPTHPGD

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