SCHEMBL3136301

SCHEMBL3136301

Cc1ccc(S(=O)(=O)[O-])cc1.Clc1ccc([S+](c2ccccc2)c2ccc(Cl)cc2)cc1

nearest known ligand 0.43

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
LMNA P02545 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 3/20 0.42
HTT P42858 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
KCNH2 Q12809 2/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
KMT2A Q03164 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 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
SCHEMBL3135344 1.00 LMNA (0.43) LMNAKDM4EMAPTALDH1A1TDP1
SCHEMBL2964104 0.92 CA12 (0.46) LMNAKDM4EALDH1A1TDP1CYP2D6
SCHEMBL3144525 0.92 CA12 (0.46) LMNAKDM4EALDH1A1TDP1CYP2D6
SCHEMBL2962482 0.90 GAA (0.45) LMNAKDM4EALDH1A1TDP1CYP2D6
SCHEMBL1088684 0.90 ALDH1A1 (0.46) KDM4EALDH1A1TDP1KMT2ACYP3A4
SCHEMBL7133269 0.90 CA12 (0.47) LMNAKDM4EALDH1A1TDP1CYP2D6
SCHEMBL64189 0.90 CA12 (0.47) LMNAKDM4EALDH1A1TDP1CYP2D6
SCHEMBL2955936 0.88 GAA (0.46) LMNAKDM4EALDH1A1TDP1CYP2D6
P-Xylene SCHEMBL3404430 0.88 GAA (0.46) LMNAKDM4EALDH1A1TDP1CYP2D6
SCHEMBL3197499 0.84 CNR2 (0.50) LMNAKDM4EMAPTALDH1A1TDP1

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
EP-1676835-B1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT WAKO PURE CHEM IND LTD (JP) 2014-12-10 EP disclosed
US-7642368-B2 for use as acid generator in semiconductor manufacture; triarylsulfonium salt having a structure that only one aromatic ring of three is different, in a high yield and by-product inhibition; reacting a diaryl sulfoxide with an aryl Grignard reagent in presence of chlorotrialkylsilane and strong acid WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-05 US disclosed
EP-1676835-A1 PROCESS FOR PRODUCING TRIARYLSULFONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2006-07-05 EP disclosed