SCHEMBL9488226

SCHEMBL9488226

Cc1ccccc1Sc1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.47
TSHR P16473 1/20 0.45
ACHE P22303 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
HTR1A P08908 4/20 0.43
HTR3A P46098 4/20 0.43
AR P10275 2/20 0.42
ALDH1A1 P00352 4/20 0.40
IDO1 P14902 1/20 0.40
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
SCN4A P35499 3/20 0.38
NOTUM Q6P988 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9486797 0.86 HAO1 (0.42) HAO1TSHRACHECA1CA2
SCHEMBL576094 0.86 ACHE (0.53) HAO1TSHRACHECA1CA2
SCHEMBL9488037 0.85 HTR1A (0.45) HAO1TSHRACHECA1CA2
SCHEMBL4099367 0.84 LMNA (0.54) TSHRALDH1A1CYP1A2TDP1
SCHEMBL2853741 0.84 TRPA1 (0.46) HAO1TSHRACHECA1CA2
SCHEMBL15706716 0.84 AR (0.47) HAO1TSHRACHECA1CA2
SCHEMBL14644822 0.84 HTR1A (0.38) HAO1TSHRACHECA1CA2
Hydrogen Sulfide SCHEMBL11580912 0.83 HTR1A (0.50) HAO1TSHRACHECA1CA2
SCHEMBL29031117 0.83 HTR1A (0.55) HAO1TSHRACHECA1CA2
SCHEMBL15906499 0.83 HTR1A (0.50) HAO1TSHRACHECA1CA2

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
US-5250657-A Process for preparing polyarylene thioether SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1993-10-05 US disclosed
EP-0440106-A2 Process for preparing polyarylene thioethers SEISAN KAIHATSU KAGAKU KENKYUSHO (JP) 1991-08-07 EP disclosed