SCHEMBL6160194

SCHEMBL6160194

O=C1c2ccccc2C(=O)N1Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 1/20 0.47
GLA P06280 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL6606281 0.87 KMT2A (0.54) KMT2AKDM4EGLATDP1L3MBTL1
SCHEMBL3779398 0.85 KMT2A (0.52) KMT2AKDM4EGLATDP1L3MBTL1
SCHEMBL13627962 0.82 KMT2A (0.44) KMT2AKDM4EGLACHRM5MAPT
SCHEMBL31268670 0.80 TDP1 (0.48) KMT2AKDM4EGLATDP1L3MBTL1
SCHEMBL18745560 0.80 MAPT (0.46) KMT2ATDP1L3MBTL1MAPTMEN1
SCHEMBL14321903 0.80 PRMT5 (0.48) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL783445 0.78 GLA (0.55) KMT2AKDM4EGLAMAPTMEN1
SCHEMBL14321648 0.77 HTT (0.43) KMT2AKDM4EMAPTMEN1POLB
SCHEMBL783555 0.77 KMT2A (0.48) KMT2AKDM4EGLATDP1L3MBTL1
SCHEMBL16711760 0.76 HPGD (0.50) KMT2AGLAMAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204322-B1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2005-02-09 EP disclosed
US-6630495-B1 Compound containing 2-pyridyl or its N-oxide BAYER CROPSCIENCE GMBH (DE) 2003-10-07 US disclosed