SCHEMBL8629027

SCHEMBL8629027

O=C(O)c1sccc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
AXL P30530 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GPR35 Q9HC97 1/20 0.39
PTPRC P08575 2/20 0.39
DAO P14920 2/20 0.38
ABCC1 P33527 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTPRG P23470 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL15575400 0.82 BCAT2 (0.46) KMT2AMEN1KDM4EALDH1A1GAA
Lithium Ion SCHEMBL31078451 0.80 KMT2A (0.31) PTPN2PTPN1KMT2A
SCHEMBL2820229 0.79 AXL (0.46) PTPN2PTPN1AXLLMNANPSR1
SCHEMBL12225720 0.78 AXL (0.44) PTPN2PTPN1AXLLMNANPSR1
SCHEMBL1986526 0.77 KMT2A (0.30) KMT2A
SCHEMBL27581548 0.76 AXL (0.43) PTPN2PTPN1AXLLMNANPSR1
SCHEMBL25948661 0.75 AXL (0.42) PTPN2PTPN1AXLLMNANPSR1
SCHEMBL8629005 0.73 KMT2A (0.46) NPSR1KMT2AMEN1NPC1RAB9A
SCHEMBL8626891 0.73 KMT2A (0.31) KMT2AMEN1KDM4EALDH1A1GLA
SCHEMBL2201666 0.73 ABCC1 (0.44) PTPN2PTPN1AXLLMNANPSR1

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