SCHEMBL6566223

SCHEMBL6566223

Cc1ccc(S(=O)(=O)[O-])cc1.Oc1ccc([S+]2CCCC2)c2ccccc12

nearest known ligand 0.47

Known targets — ChEMBL curated mechanism

CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA

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
EP300 Q09472 2/20 0.47
KAT2B Q92831 2/20 0.47
KAT8 Q9H7Z6 2/20 0.47
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
GAA P10253 4/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
HKDC1 Q2TB90 1/20 0.40
PKM P14618 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
COMT P21964 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RRM1 P23921 1/20 0.36
G6PD P11413 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
S100A4 P26447 1/20 0.35
LDHA P00338 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL6564827 0.92 MEN1 (0.50) EP300KAT2BKAT8KMT2AMEN1
SCHEMBL3881583 0.91 KMT2A (0.39) EP300KAT2BKAT8KMT2AMEN1
Trifluoromethanesulfonic Acid SCHEMBL31168280 0.80 LDHA (0.37) EP300KAT2BKAT8KMT2AMEN1
Trifluoromethanesulfonic Acid SCHEMBL515598 0.80 LDHA (0.37) EP300KAT2BKAT8KMT2AMEN1
SCHEMBL113203 0.80 IDO1 (0.52) EP300KAT2BKAT8TDP1LDHA
SCHEMBL3870651 0.80 LDHA (0.35) EP300KAT2BKAT8HKDC1LDHA
Hydrochloric Acid SCHEMBL667919 0.79 IDO1 (0.50) EP300KAT2BKAT8TDP1LDHA
SCHEMBL6564762 0.76 KMT2A (0.38) KMT2AMEN1GAAESR1ESR2
SCHEMBL6566360 0.76 HKDC1 (0.40) KMT2AMEN1GAAESR1ESR2
SCHEMBL3881541 0.75 LDHA (0.37) KMT2AMEN1GAACOMTMAP1LC3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0849634-B1 Radiation sensitive resin composition JSR CORP (JP) 2004-03-31 EP disclosed
US-6322949-B2 SULFONIUM COMPOUND AS PHOTOACID GENERATOR JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-11-27 US disclosed
US-20010014427-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-08-16 US disclosed
US-6187504-B1 PHOTOSENSITIVE BLEND CONTAINING A NAPHTHALENE SULFONIUM SULFONATE DERIVATIVE PHOTOACID GENERATOR, RESIN HAVING ALKALI INSOLUBLE GROUPS CLEAVABLE BY ACID, AN ALKALI SOLUBLE RESIN AND A SOLUBILITY CONTROL AGENT; POSITIVES, RESOLUTION JSR CORPORATION (JP) 2001-02-13 US disclosed
EP-0849634-A1 Radiation sensitive resin composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-06-24 EP disclosed