SCHEMBL8628158

SCHEMBL8628158

CS(=O)(=O)c1ccc(C(=O)NP(N)(N)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
LOX P28300 1/20 0.37
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 3/20 0.32
HTR2A P28223 3/20 0.32
DRD3 P35462 3/20 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
SCHEMBL10935147 0.80 HDAC1 (0.43) NPSR1HDAC3HDAC4HDAC1HDAC6
SCHEMBL13753505 0.76 LMNA (0.41) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL8630276 0.76 HDAC6 (0.55) LMNAHDAC3HDAC4HDAC1HDAC6
SCHEMBL6375945 0.76 KMT2A (0.53) NPSR1LMNAKDM4EALDH1A1POLB
SCHEMBL3131211 0.75 F2 (0.50) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL8634109 0.75 SMN1; SMN2 (0.38) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL15836205 0.73 LMNA (0.47) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL322182 0.73 DAO (0.52) NPSR1LMNAPPARGNCOA2NCOA1
SCHEMBL8629681 0.73 F2 (0.57) NPSR1LMNAKDM4EALDH1A1MAPT
SCHEMBL8632018 0.73 GAA (0.54) NPSR1KDM4EALDH1A1POLBMAPT

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