SCHEMBL1959258

SCHEMBL1959258

NCCCN1CCNC(=O)C1.NS(=O)(=O)c1ccc(NCCCN2CCNC(=O)C2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.53
PKM P14618 4/20 0.53
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.44
KAT2B Q92831 5/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 1/20 0.42
BCL2 P10415 2/20 0.41
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL1959246 0.96 MAPT (0.57) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL1957549 0.91 MAPT (0.50) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL2481693 0.91 MAPT (0.54) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1700080 0.80 MAPT (0.67) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL1960223 0.80 KDM4E (0.47) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL21751695 0.79 MAPT (0.59) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1957948 0.78 MAPT (0.67) MAPTPKMPOLBSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL21751590 0.78 MAPT (0.58) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1699958 0.78 MAPT (0.72) MAPTPKMPOLBSMN1; SMN2KDM4E
SCHEMBL30468003 0.78 MAPT (0.72) MAPTPKMPOLBSMN1; SMN2KDM4E

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-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed