SCHEMBL7035520

SCHEMBL7035520

N#CC(C=S(=O)=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 5/20 0.34
SLC6A3 Q01959 4/20 0.34
DRD3 P35462 2/20 0.34
LMNA P02545 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
EDNRB P24530 1/20 0.34
MAPK1 P28482 1/20 0.34
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
DRD2 P14416 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKR1C3 P42330 1/20 0.33

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
SCHEMBL544445 0.77 TSHR (0.46) TRPA1TSHRLMNAMAPK1ALDH1A1
SCHEMBL9489967 0.77 TSHR (0.46) TRPA1TSHRLMNAMAPK1ALDH1A1
SCHEMBL2477593 0.76 TSHR (0.50) TRPA1TSHRLMNAALDH1A1HTT
SCHEMBL2372210 0.72 TSHR (0.46) TRPA1TSHRALDH1A1HTTL3MBTL1
SCHEMBL1052816 0.72 TSHR (0.46) TRPA1TSHRCYP2C19LMNAALDH1A1
SCHEMBL28211563 0.69 TSHR (0.43) TRPA1TSHRCYP2C19LMNAALDH1A1
SCHEMBL6058134 0.69 TSHR (0.43) TRPA1TSHRALDH1A1L3MBTL1HPGD
SCHEMBL16133500 0.69 TSHR (0.43) TRPA1TSHRALDH1A1L3MBTL1HPGD
SCHEMBL28557277 0.68 TSHR (0.47) TRPA1TSHRCYP2C19LMNAMAPK1
SCHEMBL28671673 0.67 TRPA1 (0.41) TRPA1TSHRCYP2C19LMNAALDH1A1

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-1023487-B1 PROCESS AND DEVICE FOR TREATING WASTE PAPER WITHOUT BIOCIDES, CHLORINE COMPOUNDS, HYDROGEN PEROXIDE AND PERACETIC ACID, RECYCLED TISSUE PAPER WITH A TOTAL GERM NUMBER OF LESS THAN 1000 KBE/G AND A SURFACE GERM NUMBER OF LESS THAN 20 KBE/DM2 SCA HYGIENE PROD GMBH (DE) 2003-02-26 EP disclosed
US-6391150-B1 GERMINATION OF SPORES, HEAT TREATMENT BY HOT DISPERSION, CONTROLLING TEMPERATURE AND PROCESSING SPORE FREE RECYCLED PULP TO PAPER TISSUE SCA HYGIENE PRODUCTS GMBH (DE) 2002-05-21 US disclosed