SCHEMBL8633550

SCHEMBL8633550

CCc1occc1C(=O)NP(N)(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 4/20 0.36
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
AURKB Q96GD4 1/20 0.34
MAPK1 P28482 1/20 0.34
ESR2 Q92731 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ESR1 P03372 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
SCHEMBL8586880 0.78 MAPK1 (0.56) TDP1TSHRHSD17B10SMN1; SMN2CYP2C19
SCHEMBL8633107 0.75 LMNA (0.38) TSHRHSD17B10SMN1; SMN2ALDH1A1LMNA
SCHEMBL2223238 0.73 TP53 (0.54) TDP1L3MBTL1TSHRHSD17B10SMN1; SMN2
SCHEMBL15782799 0.73 TP53 (0.39) TDP1L3MBTL1TSHRHSD17B10SMN1; SMN2
SCHEMBL8636644 0.73 MAPK1 (0.50) TSHRHSD17B10SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL13825394 0.73 HSD17B10 (0.48) TDP1L3MBTL1TSHRHSD17B10ALDH1A1
SCHEMBL7068796 0.72 TP53 (0.38) TDP1L3MBTL1TSHRHSD17B10SMN1; SMN2
SCHEMBL8709676 0.71 PTK2 (0.35) L3MBTL1HSD17B10SMN1; SMN2ALDH1A1MEN1
SCHEMBL8635719 0.68 ALDH1A1 (0.53) TSHRHSD17B10ALDH1A1PKMMEN1
SCHEMBL11531142 0.68 TP53 (0.42) TDP1L3MBTL1TSHRHSD17B10SMN1; SMN2

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