SCHEMBL28844853

SCHEMBL28844853

COc1cc(C(F)(C(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.39
APP P05067 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
RAB9A P51151 2/20 0.38
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
FGB P02675 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34
ADORA2A P29274 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL5355009 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL4200965 0.80 CYP3A4 (0.42) ALDH1A1CYP3A4TDP1TSHRRAB9A
SCHEMBL4424761 0.79 ALDH1A1 (0.36) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL568623 0.79 L3MBTL1 (0.56) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL29811663 0.79 L3MBTL1 (0.56) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL11371878 0.79 ALDH1A1 (0.47) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL7097334 0.77 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL28844880 0.75 FFAR4 (0.38) ALDH1A1TSHRHSD17B10POLBSMN1; SMN2
SCHEMBL9578158 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1TSHRHSD17B10
SCHEMBL28844796 0.75 CYP3A4 (0.41) ALDH1A1CYP3A4TSHRHSD17B10MAPT

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