SCHEMBL8632489

SCHEMBL8632489

Cc1onc(-c2ccccc2)c1C(=O)NP(N)(N)=O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
TSHR P16473 3/20 0.62
HTT P42858 1/20 0.62
MAPK1 P28482 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.57
ALOX12 P18054 1/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL1930296 0.84 MEN1 (0.70) GAAMEN1KMT2ATSHRHTT
SCHEMBL352886 0.82 TSHR (0.68) GAAMEN1KMT2ATSHRHTT
SCHEMBL976467 0.82 TSHR (0.68) GAAMEN1KMT2ATSHRHTT
SCHEMBL903110 0.79 KMT2A (1.00) GAAMEN1KMT2ATSHRHTT
SCHEMBL5533585 0.79 L3MBTL1 (0.69) GAAMEN1KMT2ATSHRHTT
SCHEMBL13501824 0.79 KMT2A (0.69) GAAMEN1KMT2ATSHRHTT
SCHEMBL27722453 0.79 KMT2A (0.76) GAAMEN1KMT2ATSHRHTT
SCHEMBL316093 0.79 KMT2A (0.76) GAAMEN1KMT2ATSHRHTT
Hydrochloric Acid SCHEMBL30684542 0.78 KMT2A (0.97) GAAMEN1KMT2ATSHRHTT
Hydrochloric Acid SCHEMBL30684473 0.78 KMT2A (0.97) GAAMEN1KMT2ATSHRHTT

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