SCHEMBL5407516

SCHEMBL5407516

N#Cc1ccc(S(=O)[O-])cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
MAPT P10636 2/20 0.35
CA2 P00918 4/20 0.34
CA1 P00915 3/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
LSS P48449 1/20 0.33
CYP19A1 P11511 1/20 0.33
OPRD1 P41143 1/20 0.33
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32

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
Potassium Ion SCHEMBL11326413 0.82 CA2 (0.43) TSHRCA2CA1ALDH1A1CYP19A1
SCHEMBL1584344 0.82 CA2 (0.47) TSHRMAOBMAOACA2CA1
Tetraphenylphosphonium SCHEMBL1824629 0.80 TSHR (0.42) TSHRMAOBMAOAMAPTCA2
SCHEMBL29404389 0.80 TSHR (0.59) TSHRMAOBMAOAMAPTCA2
Iodide SCHEMBL7892738 0.78 TSHR (0.56) TSHRMAOBMAOAMAPTCA2
SCHEMBL4328680 0.76 MAPT (0.47) TSHRMAOBMAOAMAPTCA2
SCHEMBL5397505 0.73 ALDH1A1 (0.42) TSHRMAOBALDH1A1NPC1RAB9A
SCHEMBL5408024 0.71 ALDH1A1 (0.39) MAPTCA2CA1ALDH1A1L3MBTL1
SCHEMBL157029 0.71 CA2 (0.50) TSHRMAOBMAOACA2CA1
Water SCHEMBL459187 0.69 EPHX1 (0.35) MAPTCA2ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1684698-B1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES CO (US) 2013-10-02 EP disclosed
US-7297724-B2 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-11-20 US disclosed
EP-1684698-A1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
US-20060111463-A1 PHOTOINIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES COMPANY 2006-05-25 US disclosed
US-7026367-B2 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-11 US disclosed
WO-2005034885-A1 PHOTOINITIATORS HAVING TRIARYLSULFONIUM AND ARYLSULFINATE IONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
US-20050070621-A1 Photoiniators having triarylsulfonium and arylsulfinate ions 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed