SCHEMBL8587274

SCHEMBL8587274

Cc1cc(C)c(C(=O)NP(N)(N)=O)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
LCK P06239 1/20 0.32
PKM P14618 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL8630808 0.75 NPC1 (0.43) MAPTNPC1ALDH1A1LMNARAB9A
SCHEMBL8634456 0.74 MAPT (0.41) NPSR1KDM4EMAPTNPC1ALDH1A1
SCHEMBL12195825 0.73 NPC1 (0.47) PKMKDM4EMAPTMEN1NPC1
SCHEMBL7965972 0.72 IKBKB (0.42) PKMNPSR1RXFP1KDM4EMAPT
SCHEMBL8630797 0.71 NPC1 (0.51) PKMKDM4EMAPTNPC1HPGD
SCHEMBL15296740 0.70 MAP2K1 (0.37) KDM4EMAPTMEN1NPC1ALDH1A1
SCHEMBL5104631 0.70 PKM (0.52) PKMNPSR1RXFP1KDM4EMAPT
SCHEMBL102004 0.70 ALDH1A1 (0.40) PKMNPSR1RXFP1KDM4EMAPT
SCHEMBL2027674 0.69 MAPT (0.47) PKMNPSR1RXFP1KDM4EMAPT
SCHEMBL6375945 0.69 KMT2A (0.53) NPSR1KDM4EMAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998042347-A1 PHARMACEUTICAL COMPOSITION CONTAINING A PHOSPHORYLAMIDE AND AN AYNTIBIOTIC TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-01 WO claimed
US-5840917-A ADMINISTERING TO MAMMAL TO ERADICATE HELICOBACTER PYLORI TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
WO-1998042323-A1 STABILIZED UREASE INHIBITOR 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