SCHEMBL6736149

SCHEMBL6736149

CCS(=O)(=O)O.CS(=O)(=O)O.O=S(=O)(O)c1ccccc1

nearest known ligand 0.70

Known targets — ChEMBL curated mechanism

BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.70
TSHR P16473 3/20 0.70
PSIP1 O75475 1/20 0.52
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
HSD11B1 P28845 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
PKM P14618 1/20 0.44
HTR6 P50406 1/20 0.42
NT5E P21589 1/20 0.41
BCAT1 P54687 1/20 0.41

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
SCHEMBL27464245 0.96 TSHR (0.76) SMN1; SMN2TSHRPSIP1POLBCYP2D6
SCHEMBL3719208 0.96 TSHR (0.76) SMN1; SMN2TSHRPSIP1POLBCYP2D6
SCHEMBL2638204 0.91 TSHR (0.84) SMN1; SMN2TSHRPSIP1POLBCYP2D6
Propane SCHEMBL28882618 0.89 TSHR (0.80) SMN1; SMN2TSHRPSIP1POLBCYP2D6
Sulfuric Acid SCHEMBL6731449 0.89 TSHR (0.80) SMN1; SMN2TSHRPSIP1POLBCYP2D6
Bromide SCHEMBL1067860 0.86 TSHR (0.76) SMN1; SMN2TSHRPSIP1POLBCYP2D6
Alcohol SCHEMBL281881 0.86 TSHR (0.76) SMN1; SMN2TSHRPSIP1POLBCYP2D6
Butane SCHEMBL2906063 0.86 TSHR (0.76) SMN1; SMN2TSHRPSIP1POLBCYP2D6
SCHEMBL28199063 0.86 TSHR (0.84) SMN1; SMN2TSHRPSIP1POLBCYP2D6
Dimethyl Sulfone SCHEMBL28006518 0.86 TSHR (0.84) SMN1; SMN2TSHRPSIP1POLBCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6797146-B2 CONTACTING WITH AN ELECTROPLATING BATH OF A SOURCE OF METAL IONS, AN ELECTROLYTE COMPRISING TWO OR MORE ACIDS, AND ADDITIVES SHIPLEY COMPANY, L.L.C. 2004-09-28 US disclosed
US-6679983-B2 BATH, SOURCE OF METAL IONS, AN ELECTROLYTE COMPRISING TWO OR MORE ACIDS AND OPTIONAL ADDITIVE(S); FILL OF SMALL FEATURES WITH LESS OVERPLATE; COPPER ELECTROPLATING SHIPLEY COMPANY, L.L.C. 2004-01-20 US disclosed
US-6660153-B2 Providing metal seed layer substantially free of discontinuities disposed on substrate by contacting metal seed layer disposed on a substrate with electroplating bath comprising one or more sources of copper in electrolyte SHIPLEY COMPANY, L.L.C. 2003-12-09 US disclosed
US-20020088713-A1 Providing metal seed layer substantially free of discontinuities disposed on substrate by contacting metal seed layer disposed on a substrate with electroplating bath comprising one or more sources of copper in electrolyte SHIPLEY COMPANY, L.L.C. 2002-07-11 US disclosed
US-20020053519-A1 Seed layer repair SHIPLEY COMPANY, L.L.C. 2002-05-09 US disclosed
EP-1199383-A2 Seed layer repair bath Shipley Company LLC (US) 2002-04-24 EP disclosed
US-20020043467-A1 Electrolyte SHIPLEY COMPANY, L.L.C. 2002-04-18 US disclosed
EP-1197586-A2 Electrolyte Shipley Company LLC (US) 2002-04-17 EP disclosed
EP-0703911-B1 SECONDARY AMINES AS ANTIDIABETIC AND ANTIOBESITY AGENTS PFIZER (US) 1997-07-02 EP disclosed