SCHEMBL1743540

SCHEMBL1743540

NC(=O)c1ccccc1[S+]([O-])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
METAP2 P50579 1/20 0.41
CTNNB1 P35222 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
PARP1 P09874 3/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL506130 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL28305847 0.80 AKR1C3 (0.50) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL30901412 0.78 BCAT2 (0.42) BCAT2ALDH1A1KDM4EMAPTHPGD
(Phenylsulfinyl)Benzene SCHEMBL8958041 0.78 MAPT (0.44) BCAT2ALDH1A1KDM4EMAPTHPGD
SCHEMBL6228527 0.77 KDM4E (0.47) BCAT2ALDH1A1KDM4EMAPTHPGD
Guanidine SCHEMBL9461107 0.74 ALDH1A1 (0.46) BCAT2ALDH1A1KDM4EMAPTHPGD
Guanidine SCHEMBL9464670 0.74 ALDH1A1 (0.46) BCAT2ALDH1A1KDM4EMAPTHPGD
SCHEMBL2573164 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL30828909 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EMAPTHPGDTSHR
SCHEMBL8054028 0.73 IRAK4 (0.46) BCAT2ALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387560-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP claimed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US claimed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO claimed
CN-101568521-A Inhibitors of zinc proteases thioaryl substituted and their use BRACCO IMAGING SPA (IT) 2009-10-28 CN claimed
EP-2511264-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbott Laboratories (US) 2012-10-17 EP disclosed
EP-2387560-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP disclosed
US-8042193-B1 Systems and methods for controlling data access by use of a universal anonymous identifier Albright Associates (US) 2011-10-18 US disclosed
WO-2010083441-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed
CN-101568521-A Inhibitors of zinc proteases thioaryl substituted and their use BRACCO IMAGING SPA (IT) 2009-10-28 CN disclosed
EP-1100485-A4 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-06-09 EP disclosed
EP-1100485-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 EP disclosed
WO-2000006146-A9 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2000-08-03 WO disclosed
WO-2000006146-A1 SUBSTITUTED ANILIDE COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed
US-3953464-A ANALGESICS, ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1976-04-27 US disclosed
US-3951997-A ANTIINFLAMMATORY, ANALGESIC WARNER-LAMBERT COMPANY (US) 1976-04-20 US disclosed