SCHEMBL29076089

SCHEMBL29076089

N#Cc1ccccc1-c1c(F)cc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
PTGES O14684 2/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
PDK2 Q15119 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
PTPN5 P54829 1/20 0.36
TSHR P16473 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
LMNA P02545 1/20 0.35
AR P10275 1/20 0.35
TRPA1 O75762 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL19917556 0.84 ESR2 (0.42) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL19579103 0.84 ESR2 (0.50) ESR2PTGESALOX5APFEN1CYP11B1
SCHEMBL2651366 0.81 ESR2 (0.46) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL24085014 0.79 ESR2 (0.52) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL2648329 0.77 GABRA1 (0.44) ESR2PTGESALOX5APFEN1CYP11B1
SCHEMBL21928401 0.76 CYP11B1 (0.48) ESR2PTGESALOX5APFEN1CYP11B1
SCHEMBL2652196 0.76 ESR2 (0.46) ESR2PTGESALOX5APFEN1CYP11B1
SCHEMBL18411231 0.76 ESR2 (0.53) ESR2PTGESALOX5APFEN1USP8
SCHEMBL19579264 0.75 USP8 (0.47) ESR2ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL19579267 0.75 ESR2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789649-A Compound, light-emitting device and display device 华为技术有限公司 2023-09-22 CN disclosed