SCHEMBL8435005

SCHEMBL8435005

Cn1nc(C(N)=O)cc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.44
GRM2 Q14416 1/20 0.36
FAAH O00519 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GSK3B P49841 1/20 0.34
BACE1 P56817 3/20 0.33
APP P05067 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAPT P10636 1/20 0.32
NTRK1 P04629 2/20 0.31
NNMT P40261 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL15881998 0.85 POLB (0.36) PLA2G10L3MBTL1BAZ2BKDM4EALDH1A1
SCHEMBL17454469 0.85 BAZ2B (0.33) PLA2G10BAZ2B
SCHEMBL8433063 0.83 MAPK1 (0.36) BAZ2BKDM4EALDH1A1HPGDMAPK1
SCHEMBL17452579 0.83 BAZ2B (0.32) BAZ2BKDM4E
SCHEMBL19902574 0.81 RIPK1 (0.34) BAZ2BKDM4EALDH1A1
Fluorobenzene SCHEMBL28113596 0.75 THRB (0.32) PLA2G10GRM2BACE1APPMAPT
SCHEMBL31459225 0.75 PLA2G10 (0.44) PLA2G10FAAHL3MBTL1GSK3BBAZ2B
SCHEMBL8434538 0.74 SCN9A (0.35) BACE1
SCHEMBL8436843 0.72 MKNK1 (0.36) LMNAMAPK1
SCHEMBL17321550 0.72 KCNH2 (0.37) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869686-A Substituted pyrazole derivatives, processes for their preparation and their use as herbicides HOECHST SCHERING AGREVO GMBH (DE) 1999-02-09 US disclosed
EP-0663913-B1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-07-29 EP disclosed
US-5756424-A POTENTIATION HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US disclosed
CN-1036397-C Novel substituted pyrazole derivatives SCHERING AG (DE) 1997-11-12 CN disclosed
US-5668278-A HERBICIDES AND CHEMICAL INTERMEDIATES HOESCHST SCHERING AGREVO GMBH (DE) 1997-09-16 US disclosed
CN-1033805-C Substituted pyrazolyl pyrazole, its preparation process and intermediate, and application as herbicide SCHERING AG (DE) 1997-01-15 CN disclosed
US-5580986-A HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-12-03 US disclosed
US-5556986-A CHEMICAL INTERMEDIATES FOR PYRAZOLYLPYRAZOLES AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-09-17 US disclosed
EP-0643700-B1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-09-11 EP disclosed
EP-0663913-A1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES Hoechst Schering AgrEvo GmbH (DE) 1995-07-26 EP disclosed
US-5405829-A Substituted pyrazolypyrazoles and their use as herbicides SCHERING AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
EP-0643700-A1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES. SCHERING AG (DE) 1995-03-22 EP disclosed
WO-1994008999-A1 NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed
CN-1073440-A The pyrazolyl-pyrazole of new replacement, its preparation method, and their intermediate and they are as the purposes of weedicide SCHERING AG (DE) 1993-06-23 CN disclosed
WO-1993010100-A1 NEW SUBSTITUTED PYRAZOLYLPYRAZOLES, PROCESSES FOR THEIR PREPARATION, AS WELL AS INTERMEDIATES, AND THEIR USE AS HERBICIDES SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-27 WO disclosed
EP-0542388-A1 New substituted pyrazolylpyrazoles, processes for their preparation, as well as intermediates, and their use as herbicides SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-19 EP disclosed