SCHEMBL28844869

SCHEMBL28844869

Nc1ccc(C(F)(C(F)F)C(F)(F)F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
TSHR P16473 4/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 3/20 0.37
POLB P06746 2/20 0.37
GLA P06280 1/20 0.37
HSD11B1 P28845 2/20 0.35
ALDH1A1 P00352 5/20 0.34
ALOX15 P16050 2/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PDE7A Q13946 1/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KIF11 P52732 1/20 0.33
ITGB2 P05107 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
SCHEMBL28844840 0.80 GAA (0.52) TSHRGAAPOLBGLAALDH1A1
SCHEMBL28844879 0.79 TSHR (0.38) CYP3A4TSHRCA1CA2GAA
SCHEMBL21496127 0.79 ALDH1A1 (0.42) CYP3A4TSHRGAAPOLBGLA
SCHEMBL29938047 0.77 CYP3A4 (0.48) CYP3A4TSHRCA1CA2GAA
SCHEMBL5958773 0.77 CYP3A4 (0.48) CYP3A4TSHRCA1CA2GAA
SCHEMBL29944898 0.77 TSHR (0.56) CYP3A4TSHRCA1CA2GAA
SCHEMBL439937 0.77 TSHR (0.56) CYP3A4TSHRCA1CA2GAA
Hydrochloric Acid SCHEMBL14935577 0.75 TSHR (0.54) CYP3A4TSHRCA1CA2GAA
SCHEMBL28844798 0.75 GAA (0.42) TSHRGAAPOLBGLAALDH1A1
SCHEMBL28502765 0.75 ALDH1A1 (0.47) ALDH1A1HSD17B10TDP1KIF11KDM4E

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
CN-107817649-B Photosensitive resin composition, polyamide resin and method for producing same, compound and method for producing same, cured film and method for producing same 东京应化工业株式会社 2022-09-16 CN disclosed