SCHEMBL1960223

SCHEMBL1960223

NC(=O)c1ccccc1S(=O)(=O)c1ccc(NCCCN2CCNC(=O)C2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
BCL2 P10415 4/20 0.44
MAPT P10636 5/20 0.40
PKM P14618 4/20 0.40
POLB P06746 3/20 0.40
ADRB2 P07550 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
BCL2L1 Q07817 1/20 0.39
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.38

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 0.87 KDM4E (0.55) KDM4EMAPTPKMPOLBADRB2
SCHEMBL1960127 0.84 KDM4E (0.67) KDM4EMAPTPKMPOLBGAA
SCHEMBL1959246 0.83 MAPT (0.57) KDM4EBCL2MAPTPKMPOLB
SCHEMBL1959258 0.80 MAPT (0.53) KDM4EBCL2MAPTPKMPOLB
SCHEMBL28238037 0.78 KDM4E (0.49) KDM4EBCL2MAPTPKMPOLB
SCHEMBL2481693 0.77 MAPT (0.54) MAPTPKMPOLBGAAKMT2A
SCHEMBL20767652 0.77 KDM4E (0.39) KDM4EMAPTPKMGAAKMT2A
SCHEMBL1956568 0.77 KDM4E (0.47) KDM4EBCL2MAPTPKMPOLB
SCHEMBL2478539 0.75 KDM4E (0.57) KDM4EBCL2MAPTPKMPOLB
SCHEMBL1957549 0.74 MAPT (0.50) MAPTPKMPOLBGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507211-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP claimed
WO-2011068560-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO claimed