SCHEMBL29892139

SCHEMBL29892139

C#Cc1cc(F)ccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
AR P10275 3/20 0.36
KIF11 P52732 3/20 0.33
TRPA1 O75762 2/20 0.33
CYP11B2 P19099 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
HSD11B1 P28845 1/20 0.32
CHRM5 P08912 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.30

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
SCHEMBL20455559 1.00 IDO1 (0.38) IDO1ARKIF11TRPA1CYP11B2
SCHEMBL3432674 0.83 AR (0.43) IDO1AR
SCHEMBL29891719 0.83 AR (0.43) IDO1AR
SCHEMBL29421468 0.79 AR (0.50) ARKIF11SLC22A12KDM4EALDH1A1
SCHEMBL16401745 0.79 IDO1 (0.38) IDO1ARKIF11TRPA1CYP11B2
SCHEMBL325632 0.79 AR (0.50) ARKIF11SLC22A12KDM4EALDH1A1
SCHEMBL20455634 0.79 CES2 (0.46) ARSLC22A12
SCHEMBL29890778 0.78 AR (0.42) ARKIF11CYP11B2HSD11B1ALDH1A1
SCHEMBL20455645 0.78 PTGDR2 (0.43) ARSLC22A12HSD11B1KDM4EHTT
SCHEMBL20455595 0.78 AR (0.42) ARKIF11CYP11B2HSD11B1ALDH1A1

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-110248940-B Aryl hydrocarbon receptor (AhR) modulator compounds 菲尼克斯药品股份公司 2022-07-01 CN disclosed