SCHEMBL8630316

SCHEMBL8630316

Cc1cc(C(=O)NP(N)(N)=O)c(C(F)(F)F)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SCD O00767 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CCR8 P51685 1/20 0.34
HPGD P15428 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 2/20 0.33
BRCA1 P38398 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
USP2 O75604 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL13485763 0.81 KDM4E (0.42) MAPTKDM4EAURKARPS6KB1AURKB
SCHEMBL2305192 0.81 MAPT (0.42) MAPTKDM4EAURKARPS6KB1AURKB
SCHEMBL13753597 0.78 POLB (0.44) MAPTKDM4EAURKARPS6KB1AURKB
SCHEMBL420546 0.77 L3MBTL1 (0.43) MAPTKDM4EAURKARPS6KB1AURKB
SCHEMBL13753336 0.77 MAPT (0.48) MAPTKDM4ERAB9ANPC1L3MBTL1
SCHEMBL13753406 0.77 NPSR1 (0.43) MAPTKDM4EAURKARPS6KB1AURKB
SCHEMBL14749252 0.75 MAPT (0.38) MAPTKDM4EAURKARPS6KB1AURKB
SCHEMBL885485 0.75 NOTUM (0.49) MAPTKDM4ERAB9AALDH1A1HPGD
SCHEMBL13753489 0.75 TAS1R3 (0.40) MAPTKDM4EAURKARPS6KB1AURKB
SCHEMBL3061999 0.74 MAPT (0.41) MAPTKDM4EAURKARPS6KB1AURKB

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