SCHEMBL6955898

SCHEMBL6955898

COC(=O)CC(=O)C=Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 3/20 0.49
MMP9 P14780 2/20 0.49
APP P05067 2/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
BACE1 P56817 4/20 0.49
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
GLO1 Q04760 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP2D6 P10635 2/20 0.48

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
SCHEMBL6954034 0.85 BACE1 (0.55) NFE2L2KMT2ALMNAMEN1MAPT
SCHEMBL6954978 0.82 BACE1 (0.68) NFE2L2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10666534 0.82 MAOB (0.59) NFE2L2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6960590 0.82 CYP1A2 (0.59) NFE2L2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10666536 0.82 MAOB (0.59) NFE2L2SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL6959842 0.82 MAOB (0.58) KMT2ALMNAMEN1MAPTAPP
SCHEMBL1431915 0.81 KMT2A (0.58) NFE2L2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7660046 0.81 KMT2A (0.58) NFE2L2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL30098502 0.81 KMT2A (0.58) NFE2L2KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1431912 0.81 KMT2A (0.58) NFE2L2KMT2ASMN1; SMN2NPC1RAB9A

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
EP-1023267-B1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL SA (CH) 2003-09-17 EP disclosed
US-6482841-B1 Pyridyl compounds and pharmaceutical compositions containing them CERMOL S.A. (CH) 2002-11-19 US disclosed
EP-1023267-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 2000-08-02 EP disclosed
WO-1999019302-A1 PYRIDYL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CERMOL S.A. (CH) 1999-04-22 WO disclosed