Dibenzothiophene

Dibenzothiophene

SCHEMBL6130180

Cc1cccc2c1sc1ccccc12.c1ccc2c(c1)sc1ccccc12

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.58
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
POLB P06746 2/20 0.47
HCRTR1 O43613 1/20 0.47
LMNA P02545 1/20 0.47
PARP14 Q460N5 1/20 0.44
ALOX5 P09917 1/20 0.44
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2A6 P11509 2/20 0.42
CYP1A2 P05177 1/20 0.42
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40

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
SCHEMBL731864 0.98 GPR3 (0.54) GPR3ALDH1A1MAPTL3MBTL1POLB
SCHEMBL29388065 0.98 GPR3 (0.54) GPR3ALDH1A1MAPTL3MBTL1POLB
Dibenzothiophene SCHEMBL17841704 0.96 GPR3 (0.58) GPR3ALDH1A1MAPTL3MBTL1POLB
SCHEMBL15785773 0.92 GPR3 (0.48) GPR3ALDH1A1MAPTL3MBTL1POLB
SCHEMBL6130179 0.85 CYP2A6 (0.44) GPR3ALDH1A1MAPTL3MBTL1POLB
SCHEMBL29735389 0.85 CYP2A6 (0.48) GPR3ALDH1A1MAPTL3MBTL1POLB
SCHEMBL939375 0.85 CYP2A6 (0.48) GPR3ALDH1A1MAPTL3MBTL1POLB
SCHEMBL24631919 0.84 ALDH1A1 (0.42) GPR3ALDH1A1MAPTL3MBTL1POLB
Sulfuric Acid SCHEMBL2870333 0.83 ALDH1A1 (0.46) GPR3ALDH1A1MAPTL3MBTL1POLB
Sulfuric Acid SCHEMBL2870334 0.83 PARP14 (0.49) GPR3ALDH1A1MAPTL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335962-A4 OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND SULPHCO INC (US) 2005-01-19 EP disclosed
EP-1335962-A1 OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND Sulphco.Inc. (US) 2003-08-20 EP disclosed
WO-2002026916-A1 OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND SULPHCO. INC. (US) 2002-04-04 WO disclosed