SCHEMBL6419585

SCHEMBL6419585

O=CCS(=O)(=O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 3/20 0.45
KEAP1 Q14145 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 3/20 0.43
PKM P14618 2/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
LOX P28300 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GLO1 Q04760 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
KAT6A Q92794 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 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
SCHEMBL10416944 0.83 KDM4E (0.51) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL8993328 0.78 NFE2L2 (0.49) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL30333699 0.78 NFE2L2 (0.49) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL4685419 0.78 NFE2L2 (0.49) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL6935421 0.76 NFE2L2 (0.56) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL1515311 0.76 NFE2L2 (0.47) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL14532278 0.76 NFE2L2 (0.47) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL26694715 0.76 NFE2L2 (0.47) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL11111429 0.76 KDM4E (0.50) NFE2L2KEAP1L3MBTL1KDM4EPKM
SCHEMBL4685420 0.76 NFE2L2 (0.47) NFE2L2KEAP1L3MBTL1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050287594-A1 Activity-based probes having specificity to the active form of enzymes and receptors; screening for desired biological activities or target proteins SCRIPPS RESEARCH INSTITUTE, THE 2005-12-29 US disclosed
US-6872574-B2 Generating and screening compound libraries that are used for the identification of lead molecules, and for the parallel identification of their biological targets THE SCRIPPS RESEARCH INSTITUTE (US) 2005-03-29 US disclosed
EP-1275006-A2 PROTEOMIC ANALYSIS USING ACTIVITY-BASED PROBE LIBRARIES The Scripps Research Institute (US) 2003-01-15 EP disclosed
US-20020182652-A1 Proteomic analysis NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2002-12-05 US disclosed
US-20020064799-A1 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE OF AN ASSIGNMENT 2002-05-30 US disclosed
US-20020045194-A1 Proteomic analysis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-04-18 US disclosed
US-20020040275-A1 Proteomic analysis THE SCRIPPS RESEARCH INSTITUTE 2002-04-04 US disclosed
WO-2001077668-A2 PROTEOMIC ANALYSIS USING ACTIVE-SITE DIRECTED PROBES THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-18 WO disclosed
WO-2001077684-A2 PROTEOMIC ANALYSIS USING ACTIVITY-BASED PROBE LIBRARIES THE SCRIPPS RESEARCH INSTITUTE (US) 2001-10-18 WO disclosed