SCHEMBL1960127

SCHEMBL1960127

NC(=O)c1ccccc1S(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
MAPT P10636 8/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.55
LMNA P02545 3/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL1957094 0.92 KDM4E (0.55) KDM4EMAPTPOLBPKMRAB9A
SCHEMBL2478539 0.89 KDM4E (0.57) KDM4EMAPTPOLBPKMRAB9A
SCHEMBL28092020 0.87 KDM4E (0.54) KDM4EMAPTPOLBPKMRAB9A
SCHEMBL1960223 0.84 KDM4E (0.47) KDM4EMAPTPOLBPKMRAB9A
SCHEMBL28238037 0.83 KDM4E (0.49) KDM4EMAPTPOLBPKMLMNA
SCHEMBL1956568 0.81 KDM4E (0.47) KDM4EMAPTPOLBPKMLMNA
SCHEMBL1699958 0.81 MAPT (0.72) KDM4EMAPTPOLBPKMRAB9A
SCHEMBL30468003 0.81 MAPT (0.72) KDM4EMAPTPOLBPKMRAB9A
SCHEMBL1957524 0.81 MAPT (0.47) KDM4EMAPTPKMLMNAKMT2A
SCHEMBL30216224 0.80 KDM4E (1.00) KDM4EMAPTPOLBPKMRAB9A

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-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP claimed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO claimed
CN-106008466-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2018-12-14 CN disclosed
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed