SCHEMBL7955804

SCHEMBL7955804

Cn1c(C(F)(F)F)cc(=O)n(-c2cc(F)ccc2F)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
BCAT1 P54687 2/20 0.37
BCAT2 O15382 1/20 0.37
MAPK14 Q16539 2/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
HTT P42858 1/20 0.31
GLA P06280 1/20 0.31
AR P10275 1/20 0.31
ATM Q13315 1/20 0.31
HCAR1 Q9BXC0 1/20 0.30
PARK7 Q99497 1/20 0.30

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
SCHEMBL7951685 0.91 L3MBTL1 (0.40) L3MBTL1BCAT1BCAT2MAPK14TSHR
SCHEMBL27482640 0.86 BCAT2 (0.33) BCAT1BCAT2ARGRM4
SCHEMBL29709206 0.83 HSD11B1 (0.36) L3MBTL1TSHRATMHCAR1GRM4
SCHEMBL7562176 0.83 HSD11B1 (0.36) L3MBTL1TSHRATMHCAR1GRM4
SCHEMBL31442537 0.83 GRM4 (0.42) GRM4
SCHEMBL8899310 0.82 NPSR1 (0.36) BCAT1BCAT2HTR1AADRA1BGLA
SCHEMBL24241965 0.81 MAP2K1 (0.35) GRM4
SCHEMBL9114198 0.81 ESR1 (0.40) L3MBTL1ARGRM4
SCHEMBL7893270 0.81 RXFP1 (0.46) TSHRALDH1A1HPGDALOX15HTT
SCHEMBL9338931 0.81 ALDH1A1 (0.34) ALDH1A1ALOX15

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
US-6207830-B1 REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE SYNGENTA CROP PROTECTION, INC. 2001-03-27 US claimed
EP-0831091-A2 Process for the production of 3-aryl-uracils Novartis AG (CH) 1998-03-25 EP claimed
US-6207830-B1 REACTING AN ISOCYANATE WITH AN ENAMINE IN PRESENCE OF A BASE SYNGENTA CROP PROTECTION, INC. 2001-03-27 US disclosed
EP-0831091-A2 Process for the production of 3-aryl-uracils Novartis AG (CH) 1998-03-25 EP disclosed