SCHEMBL7887352

SCHEMBL7887352

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Br)cc2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.35
HSD17B10 Q99714 2/20 0.35
RXFP1 Q9HBX9 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS2 P35354 1/20 0.33
NOTUM Q6P988 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33

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
SCHEMBL7846203 0.85 GSK3A (0.37) GSK3AGSK3BMAPTRXFP1MEN1
SCHEMBL8993528 0.85 SMN1; SMN2 (0.44) GSK3AGSK3BMAPTTSHRALDH1A1
SCHEMBL8700806 0.85 GSK3A (0.37) GSK3AGSK3BMAPTMEN1ALDH1A1
SCHEMBL7888772 0.85 GSK3A (0.40) GSK3AGSK3BMEN1ALDH1A1KMT2A
SCHEMBL7557543 0.82 GSK3A (0.46) GSK3AGSK3BMAPTTP53ALDH1A1
SCHEMBL7893270 0.80 RXFP1 (0.46) MAPTRXFP1TSHRMEN1ALDH1A1
SCHEMBL8694102 0.80 GSK3A (0.42) GSK3AGSK3BMAPTMEN1ALDH1A1
SCHEMBL9423185 0.79 ALKBH5 (0.34) MAPTHSD17B10KMT2ANOTUM
SCHEMBL16692767 0.78 ALDH1A1 (0.33) GSK3AGSK3BTP53TSHRALDH1A1
SCHEMBL13693064 0.77 PTGS1 (0.37) MAPTPTGS2NOTUM

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
US-6174839-B1 AS HERBICIDE NIHON BAYER AGROCHEM K.K. (JP) 2001-01-16 US disclosed