SCHEMBL3336161

SCHEMBL3336161

O=S(=O)(O)c1ccccc1.ON=Cc1cccc2ccccc12

nearest known ligand 0.53

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
TSHR P16473 3/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.48
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL31511413 0.83 GRIN2D (0.59) TSHRHTTGRIN2DGRIN3BGRIN1
SCHEMBL413024 0.83 GRIN2D (0.59) TSHRHTTGRIN2DGRIN3BGRIN1
SCHEMBL533800 0.83 GRIN2D (0.59) TSHRHTTGRIN2DGRIN3BGRIN1
SCHEMBL7898857 0.83 GRIN2D (0.59) TSHRHTTGRIN2DGRIN3BGRIN1
1-Naphthol SCHEMBL3933082 0.74 CYP1A2 (0.63) TSHRSMN1; SMN2KMT2AGAAMAPT
SCHEMBL10766571 0.74 TSHR (0.59) TSHRSMN1; SMN2KMT2AGAAMAPT
SCHEMBL30219481 0.73 GAA (0.64) HTTSMN1; SMN2KMT2AGAAMAPT
SCHEMBL28734904 0.72 ALDH1A1 (0.61) TSHRSMN1; SMN2KMT2AGAAMAPT
Naphthalene SCHEMBL3261004 0.72 TSHR (0.84) TSHRHTTSMN1; SMN2MAPTTDP1
Formaldehyde SCHEMBL11063344 0.71 TSHR (0.55) TSHRSMN1; SMN2KMT2AGAAMAPT

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
US-8652267-B2 Coated-type silicon-containing film stripping process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20100147334-A1 Coated-type silicon-containing film stripping process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-17 US disclosed
US-20020147290-A1 Cyclic acetal compound, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-10-10 US disclosed