SCHEMBL6421401

SCHEMBL6421401

CCCCCCCC(=O)S(=O)(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALOX12 P18054 2/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
NPC1 O15118 1/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
FAAH O00519 4/20 0.41
DAGLA Q9Y4D2 3/20 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
SCHEMBL5860684 0.82 DAGLA (0.44) LMNACES1FAAHDAGLA
SCHEMBL6423056 0.79 LMNA (0.44) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL29291621 0.75 KEAP1 (0.58) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL18958933 0.75 KEAP1 (0.58) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL3413877 0.73 KEAP1 (0.60) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL8605049 0.72 CYP1A2 (0.43) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL1254914 0.72 LMNA (0.63) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL9440127 0.72 LMNA (0.63) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL17817131 0.72 LMNA (0.63) LMNAKDM4EHTTSMN1; SMN2ALOX12
SCHEMBL28247961 0.72 LMNA (0.63) LMNAKDM4EHTTSMN1; SMN2ALOX12

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