SCHEMBL1960922

SCHEMBL1960922

O=C(NS(=O)(=O)c1ccc(NCCCN2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 10/20 0.66
KDM4E B2RXH2 1/20 0.64
BCL2 P10415 7/20 0.62
MAPT P10636 5/20 0.61
POLB P06746 1/20 0.61
PKM P14618 1/20 0.61
RAB9A P51151 1/20 0.59
LMNA P02545 3/20 0.58
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
MCL1 Q07820 2/20 0.58
BCL2L2 Q92843 1/20 0.58
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL30112845 1.00 BCL2L1 (0.66) BCL2L1KDM4EBCL2MAPTPOLB
SCHEMBL30112833 0.95 BCL2L1 (0.68) BCL2L1KDM4EBCL2MAPTMCL1
SCHEMBL1957164 0.92 BCL2L1 (0.61) BCL2L1KDM4EBCL2MAPTPKM
SCHEMBL2478538 0.86 BCL2 (0.65) BCL2
SCHEMBL30881551 0.83 BCL2L1 (0.61) BCL2L1BCL2MCL1BCL2L2L3MBTL1
SCHEMBL30528147 0.83 BCL2L1 (0.62) BCL2L1BCL2MCL1
SCHEMBL30468003 0.81 MAPT (0.72) KDM4EMAPTPOLBPKMRAB9A
SCHEMBL1699958 0.81 MAPT (0.72) KDM4EMAPTPOLBPKMRAB9A
SCHEMBL1955748 0.81 BCL2L1 (0.59) BCL2L1BCL2MAPTMCL1
SCHEMBL30365352 0.80 BCL2L1 (0.56) BCL2L1BCL2MCL1BCL2L2

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