SCHEMBL713263

SCHEMBL713263

COc1cc(F)ccc1COC(=O)n1ccnc1C(C)c1cccc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.36
KDM4C Q9H3R0 2/20 0.36
KDM5B Q9UGL1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CTSA P10619 4/20 0.34
FFAR1 O14842 2/20 0.33
POLB P06746 1/20 0.33
WDR5 P61964 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL713262 1.00 KDM5A (0.36) KDM5AKDM4CKDM5BALDH1A1MAPT
SCHEMBL697345 0.91 NPC1 (0.38) KDM5AKDM4CKDM5BALDH1A1MAPT
SCHEMBL696841 0.91 FFAR1 (0.37) ALDH1A1MAPTFFAR1POLBMAPK1
SCHEMBL697431 0.90 MAPK14 (0.39) KDM5AKDM4CKDM5BALDH1A1FFAR1
SCHEMBL698596 0.90 MMP2 (0.38) ALDH1A1FFAR1POLBMAPK14MAPK1
SCHEMBL697715 0.90 TDP1 (0.40) ALDH1A1MAPTTDP1CTSAPOLB
SCHEMBL700359 0.88 L3MBTL1 (0.45) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL698876 0.87 MAPT (0.44) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL697922 0.86 ALDH1A1 (0.39) ALDH1A1MAPTTDP1CTSAMEN1
SCHEMBL699023 0.85 ALDH1A1 (0.31) ALDH1A1FFAR1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed