SCHEMBL5692964

SCHEMBL5692964

CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TYR P14679 1/20 0.33
HSD11B1 P28845 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
RAB9A P51151 4/20 0.32
KIF11 P52732 2/20 0.32
ALDH1A1 P00352 2/20 0.31
KCNK9 Q9NPC2 1/20 0.31
SRD5A2 P31213 1/20 0.31
NPC1 O15118 2/20 0.30
MEN1 O00255 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
SCHEMBL2437537 0.91 TSHR (0.38) NR1H2NR1H3TSHRLMNAMAPT
SCHEMBL2436588 0.89 TSHR (0.39) NR1H2NR1H3TSHRLMNAMAPT
SCHEMBL244777 0.87 TSHR (0.44) TSHRLMNAMAPTTDP1L3MBTL1
SCHEMBL107752 0.87 TSHR (0.44) TSHRLMNAMAPTTDP1L3MBTL1
SCHEMBL3135784 0.86 HSD11B1 (0.37) NR1H2LMNAHSD11B1RAB9AALDH1A1
SCHEMBL3137398 0.86 HSD11B1 (0.37) NR1H2LMNAHSD11B1RAB9AALDH1A1
SCHEMBL3135852 0.86 HSD11B1 (0.37) NR1H2LMNAHSD11B1RAB9AALDH1A1
SCHEMBL384930 0.86 HSD11B1 (0.37) NR1H2LMNAHSD11B1RAB9AALDH1A1
Bromide SCHEMBL3742452 0.85 TSHR (0.42) TSHRLMNAMAPTTDP1L3MBTL1
Iodide SCHEMBL5461188 0.85 TSHR (0.42) TSHRLMNAMAPTTDP1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656590-A2 NOVEL PHOTOSENSITIVE BILAYER COMPOSITION FujiFilm Electronic Materials USA, Inc. (US) 2006-05-17 EP disclosed
WO-2005022257-A2 NOVEL PHOTOSENSITIVE BILAYER COMPOSITION ARCH SPECIALTY CHEMICALS, INC. (US) 2005-03-10 WO disclosed