SCHEMBL28299311

SCHEMBL28299311

N#Cc1ccccc1-c1cc(F)c(F)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
ALOX5AP P20292 1/20 0.50
FEN1 P39748 1/20 0.50
CYP11B1 P15538 4/20 0.45
CYP11B2 P19099 4/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
PTPN5 P54829 1/20 0.44
TRPA1 O75762 1/20 0.43
NR3C1 P04150 1/20 0.42
AR P10275 1/20 0.40
GABRA1 P14867 1/20 0.39
USP8 P40818 1/20 0.39
USP7 Q93009 1/20 0.39
PTGES O14684 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL19917543 0.87 ESR2 (0.50) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL19579103 0.87 ESR2 (0.50) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL21960122 0.85 ALOX5AP (0.55) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL1373319 0.81 ALOX5AP (0.45) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL2775651 0.81 ESR2 (0.53) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL1372803 0.79 ALOX5AP (0.52) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL17840122 0.79 FEN1 (0.42) ALOX5APFEN1AR
SCHEMBL24085014 0.78 ESR2 (0.52) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL19579267 0.78 ESR2 (0.47) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL19579264 0.78 USP8 (0.47) ESR2ALOX5APFEN1CYP11B1CYP11B2

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
CN-109761820-B Chemical synthesis method of 3',4',5 '-trifluoro- [1,1' -biphenyl ] -2-amine 浙江工业大学 2022-03-25 CN claimed
CN-109761820-A A kind of 3`, 4`, the chemical synthesis process of fluoro- [1,1`- the biphenyl] -2- amine of 5`- tri- 浙江工业大学 2019-05-17 CN claimed
CN-117285426-A Method for simultaneously preparing biphenyl bactericides and topramezone herbicide intermediates 帕潘纳(北京)科技有限公司 2023-12-26 CN disclosed
CN-109761820-B Chemical synthesis method of 3',4',5 '-trifluoro- [1,1' -biphenyl ] -2-amine 浙江工业大学 2022-03-25 CN disclosed