SCHEMBL3720952

SCHEMBL3720952

FC(F)(F)c1ccccc1C(F)(F)F.N=C=O.N=C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NFKB1 P19838 1/20 0.41
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IDO1 P14902 2/20 0.39
TSHR P16473 1/20 0.38
HSD11B1 P28845 1/20 0.36
KIF11 P52732 1/20 0.36
AR P10275 1/20 0.36
TNF P01375 1/20 0.36
IL6 P05231 1/20 0.36
ACP3 P15309 1/20 0.36
KMO O15229 1/20 0.36
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL20558581 0.89 MEN1 (0.41) GAALMNAALDH1A1HPGDMEN1
SCHEMBL20472968 0.88 ALDH1A1 (0.49) ALDH1A1TDP1HPGDTSHRHSD11B1
SCHEMBL63469 0.83 ALDH1A1 (0.52) GAALMNAALDH1A1POLBTDP1
SCHEMBL29441997 0.83 ALDH1A1 (0.52) GAALMNAALDH1A1POLBTDP1
SCHEMBL28512561 0.81 AR (0.47) ALDH1A1HPGDHSD11B1ARKMO
Hydrogen Sulfide SCHEMBL28274662 0.80 ALDH1A1 (0.50) GAALMNAALDH1A1POLBTDP1
SCHEMBL28231443 0.80 RXRA (0.54) KIF11AR
SCHEMBL7034595 0.79 LMNA (0.42) GAALMNAALDH1A1POLBTDP1
Iodide SCHEMBL29093541 0.77 ALDH1A1 (0.48) GAALMNAALDH1A1POLBTDP1
Bromide SCHEMBL29093546 0.77 ALDH1A1 (0.48) GAALMNAALDH1A1POLBTDP1

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
WO-2010093520-A2 LEATHER ARTICLE HAVING IMPROVED SOIL RESISTANCE AND METHOD OF MAKING SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-08-19 WO disclosed