SCHEMBL4434764

SCHEMBL4434764

O=[N+]([O-])c1ccc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
CA3 P07451 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CRHBP P24387 1/20 0.41
ATM Q13315 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL4437671 0.88 MAPT (0.43) MAPTCA1CA2CA12CA9
SCHEMBL28120009 0.82 ALDH1A1 (0.44) MAPTCA1CA2CA5AALDH1A1
SCHEMBL15998115 0.79 KCNH2 (0.44) CA1CA2CA12CA9CA3
SCHEMBL13086215 0.77 CNR2 (0.41) MAPTCA2CA12CA9ALDH1A1
SCHEMBL5835749 0.77 MAPT (0.73) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL4443205 0.77 CYP2D6 (0.44) CA1CA2CA12CA9CA4
SCHEMBL30062268 0.77 MMP14 (0.43) MAPTALDH1A1KMT2AMEN1MMP14
SCHEMBL9347243 0.76 LTA4H (0.38) ALDH1A1KMT2AMEN1TSHRCYP3A4
SCHEMBL168393 0.76 ALDH1A1 (0.54) MAPTCA1CA2ALDH1A1KMT2A
SCHEMBL244232 0.76 CNR2 (0.35) MAPTALDH1A1KMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103626776-B Pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives, preparation methods of pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives, and application of pyrazolo[1,5-alpha] pyrimidine nitrogen mustard derivatives in oncotherapy 北京师范大学 2017-02-15 CN disclosed
EP-2129788-B1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS LLC (US) 2014-09-03 EP disclosed
EP-2129788-A2 LUMINESCENT COMPOUNDS Seta Biomedicals, LLC (US) 2009-12-09 EP disclosed
WO-2008094637-A2 LUMINESCENT COMPOUNDS SETA BIOMEDICALS. LLC (US) 2008-08-07 WO disclosed