SCHEMBL2707913

SCHEMBL2707913

NS(=O)(=O)c1ccc(F)c([N+](=O)[O-])c1.NS(=O)(=O)c1ccc(N(C2CNC2)C2CCOC2)c([N+](=O)[O-])c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.40
MAPT P10636 9/20 0.37
NPSR1 Q6W5P4 4/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA9 Q16790 3/20 0.37
HTT P42858 5/20 0.36
GAA P10253 4/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
MITF O75030 1/20 0.36
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
PKM P14618 1/20 0.33
SOS1 Q07889 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL1867625 0.94 CA2 (0.41) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1864944 0.87 CA2 (0.44) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1870339 0.81 CA2 (0.43) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1867950 0.81 CA2 (0.43) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1867951 0.81 CA2 (0.43) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1700490 0.81 CA2 (0.43) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1867014 0.81 CA2 (0.43) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1700492 0.81 CA2 (0.43) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1700199 0.80 HTT (0.47) VCAM1MAPTNPSR1CA12CA1
SCHEMBL1867757 0.79 CA2 (0.46) VCAM1MAPTNPSR1CA12CA1

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-2435432-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2012-04-04 EP disclosed
WO-2010138588-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed