SCHEMBL8629804

SCHEMBL8629804

Cc1ccoc1C(=O)NP(N)(N)=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.56
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NAMPT P43490 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GRM1 Q13255 9/20 0.42
GRM4 Q14833 4/20 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
SCHEMBL1902377 0.79 MAPT (0.66) KDM4EMAPTALDH1A1THRBMEN1
SCHEMBL353101 0.77 KDM4E (0.62) KDM4EMAPTALDH1A1THRBMEN1
SCHEMBL11908920 0.77 KDM4E (0.62) KDM4EMAPTALDH1A1THRBMEN1
SCHEMBL28244480 0.76 KDM4E (0.57) KDM4EMAPTALDH1A1THRBMEN1
SCHEMBL26344762 0.76 MAPT (0.61) KDM4EMAPTALDH1A1THRBMEN1
SCHEMBL26332896 0.76 KDM4E (0.61) KDM4EMAPTALDH1A1THRBMEN1
SCHEMBL8586880 0.75 MAPK1 (0.56) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL13753382 0.73 KDM4E (0.57) KDM4EMAPTALDH1A1THRBMEN1
SCHEMBL13753326 0.73 MAPT (0.72) KDM4EMAPTALDH1A1THRBMEN1
SCHEMBL353705 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