SCHEMBL8630210

SCHEMBL8630210

Cc1sc(Cl)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
F2 P00734 1/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 2/20 0.43
GSK3B P49841 2/20 0.42
PLA2G10 O15496 2/20 0.40
ALDH1A1 P00352 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.37
NNMT P40261 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP1 P29466 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
SCHEMBL8174209 0.83 DAO (0.63) DAOKDM4EMAPTL3MBTL1HPGD
SCHEMBL23151886 0.83 MAPT (0.47) DAOF2KDM4EMAPTL3MBTL1
SCHEMBL17103510 0.80 DAO (0.65) DAOF2KDM4EMAPTL3MBTL1
SCHEMBL17367390 0.80 PLA2G10 (0.49) KDM4EMAPTL3MBTL1HPGDGSK3B
SCHEMBL167136 0.78 MAPT (0.44) DAOKDM4EMAPTL3MBTL1HPGD
SCHEMBL13602654 0.78 GSK3B (0.49) DAOKDM4EMAPTL3MBTL1HPGD
SCHEMBL15854066 0.77 F2 (0.47) DAOF2KDM4EMAPTGSK3B
SCHEMBL19494595 0.77 DGAT1 (0.37) DAOKDM4EMAPTL3MBTL1GSK3B
SCHEMBL13245850 0.76 GSK3B (0.47) DAOKDM4EMAPTL3MBTL1HPGD
SCHEMBL8628998 0.76 MAPT (0.43) DAOF2KDM4EMAPTL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994463-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS GALAPAGOS NV (BE) 2017-10-25 EP disclosed
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