SCHEMBL6915524

SCHEMBL6915524

C=CC[S+]([O-])Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
MAOB P27338 1/20 0.34
CALM1 P0DP23 1/20 0.33
TSHR P16473 5/20 0.33
CNR2 P34972 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 2/20 0.31
IDO1 P14902 1/20 0.31
TP53 P04637 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
TRPA1 O75762 1/20 0.31
APOBEC3G Q9HC16 1/20 0.30
SLC6A2 P23975 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL5691003 0.80 CA1 (0.34)
Benzene SCHEMBL11030926 0.79 CALM1 (0.45) SMN1; SMN2MAOBCALM1TSHRCES2
SCHEMBL340372 0.79 CALM1 (0.45) SMN1; SMN2MAOBCALM1TSHRCES2
SCHEMBL14397088 0.79 ADH1B (0.38) MAOBCALM1TSHRCES2CES1
SCHEMBL1128027 0.78 MAOB (0.37) SMN1; SMN2MAOBCALM1TSHRCNR2
SCHEMBL11863562 0.78 MAOB (0.37) SMN1; SMN2MAOBCALM1TSHRCNR2
Bromide SCHEMBL11619420 0.77 MAOB (0.36) SMN1; SMN2MAOBCALM1TSHRCNR2
SCHEMBL19785654 0.76 PTGS2 (0.36)
SCHEMBL12362844 0.76 PTGS2 (0.36)
SCHEMBL14715288 0.76 CALM1 (0.38) SMN1; SMN2MAOBCALM1TSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540522-A HALOGENATING A SUBSTITUTED ALKYL BENZYL SULFOXIDE MONSANTO COMPANY (US) 1985-09-10 US claimed
WO-2010016011-A1 ORGANOSULFUR COMPOUNDS, A METHOD OF MAKING ORGANOSULFUR COMPOUNDS AND THEIR USE FOR INHIBITING THE GROWTH OF TUMOUR CELLS UNIVERSITY OF CAPE TOWN (ZA) 2010-02-11 WO disclosed
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
EP-0753540-B1 Polycarbonate resin composition MITSUBISHI ENG PLASTICS CORP (JP) 2003-06-11 EP disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 EP disclosed