SCHEMBL8629673

SCHEMBL8629673

Cc1csc(C(=O)NP(N)(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.53
CASP3 P42574 3/20 0.43
SENP7 Q9BQF6 3/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SNCA P37840 1/20 0.36
CCR2 P41597 6/20 0.35
KDM1A O60341 1/20 0.32
KDR P35968 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8630018 0.80 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2
SCHEMBL5436576 0.79 ALDH1A1 (0.63) DAOCASP3SENP7SENP8SENP6
SCHEMBL24322069 0.79 DAO (0.63) DAOCASP3SENP7SENP8SENP6
SCHEMBL8633709 0.79 ALDH1A1 (0.41) CASP3SENP7ALDH1A1LMNASMN1; SMN2
SCHEMBL8632472 0.78 MAPT (0.39) ALDH1A1LMNASNCASMN1; SMN2
SCHEMBL10274837 0.77 DAO (0.61) DAOCASP3SENP7SENP8SENP6
SCHEMBL10274827 0.73 DAO (0.55) DAOCASP3SENP7SENP8SENP6
SCHEMBL279422 0.72
SCHEMBL7368425 0.72 DAO (0.71) DAOCASP3SENP7SENP8SENP6
SCHEMBL5859674 0.72 DAO (0.71) DAOCASP3SENP7SENP8SENP6

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