Methane

Methane

SCHEMBL3963790

C.O=S(=O)(Oc1ccc(Sc2ccccc2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ENPP3 O14638 6/20 0.41
ENPP1 P22413 5/20 0.41
STS P08842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
ESR2 Q92731 1/20 0.39
CA2 P00918 3/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
MAOB P27338 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ENPP2 Q13822 4/20 0.36
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL2569898 0.99 TDP1 (0.42) TDP1ENPP3ENPP1STSL3MBTL1
Diphenylsulfane SCHEMBL2898246 0.86 ENPP3 (0.50) TDP1ENPP3ENPP1STSL3MBTL1
SCHEMBL28114360 0.85 MAPT (0.47) TDP1ENPP3ENPP1L3MBTL1MAPT
Methane SCHEMBL2440088 0.81 NR3C1 (0.41) TDP1ENPP3ENPP1L3MBTL1MAPT
SCHEMBL2437790 0.80 NR3C1 (0.42) TDP1ENPP3ENPP1L3MBTL1MAPT
Diphenylsulfane SCHEMBL2903351 0.79 TDP1 (0.62) TDP1ENPP3ENPP1STSL3MBTL1
Diphenylsulfane SCHEMBL4864595 0.79 MEN1 (0.50) TDP1ENPP3ENPP1MAPTCA2
Diphenylsulfane SCHEMBL2898459 0.79 ENPP3 (0.49) TDP1ENPP3ENPP1MAPTAR
SCHEMBL9309266 0.77 TDP1 (0.65) TDP1ENPP3ENPP1STSL3MBTL1
SCHEMBL3652180 0.77 NR3C1 (0.41) TDP1ENPP3ENPP1L3MBTL1MAPT

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
US-7491482-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-02-17 US claimed