SCHEMBL2406895

SCHEMBL2406895

Nc1nc(-c2ccc([N+](=O)[O-])cc2)cc(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 16/20 0.63
ALDH1A1 P00352 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL5380418 0.77 GSK3B (0.66) ALDH1A1TDP1MAPT
SCHEMBL2403432 0.77 XDH (1.00) XDH
SCHEMBL1665480 0.76 MAPT (0.54) ALDH1A1TDP1MAPT
SCHEMBL5381098 0.76 XDH (0.72) XDH
SCHEMBL30452206 0.73 MCL1 (0.56) ALDH1A1TDP1MAPT
SCHEMBL10832522 0.72 RAD51 (0.53) ALDH1A1MAPT
SCHEMBL28054501 0.71 MAPT (0.51) ALDH1A1TDP1MAPT
SCHEMBL27986364 0.70 MAPT (0.60) XDHALDH1A1TDP1MAPT
SCHEMBL13153215 0.70 NPC1 (0.55) ALDH1A1TDP1MAPT
SCHEMBL28489642 0.69 MEN1 (0.60) ALDH1A1MAPT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4782363-B2 2011-09-28 JP claimed
EP-1352005-B1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INT LLC (US) 2008-10-29 EP claimed
US-7390446-B2 fine cell structure, very good surface appearance, a relatively thin skin; As H-bridge-forming monomeric units, substituted ureido-pyrimidones and ureido-pyrimidines were used HUNTSMAN INTERNATIONAL LLC (US) 2008-06-24 US claimed
US-20070149751-A1 Bulk manufacturing of supramolecular polymer forming polymer LINDSAY CHRISTOPHER I 2007-06-28 US claimed
EP-1511794-B1 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INT LLC (US) 2007-05-02 EP claimed
US-20050151291-A1 Foamed supramolecular polymers HUNTSMAN INTERNATIONAL LLC 2005-07-14 US claimed
EP-1511794-A2 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INTERNATIONAL LLC (US) 2005-03-09 EP claimed
US-20040087755-A1 Supramolecular polymer forming polymer DEUTSCHE BANK AG NEW YORK BRANCH, AS AGENT 2004-05-06 US claimed
WO-2003099875-A2 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INTERNATIONAL LLC (US) 2003-12-04 WO claimed
EP-1352005-A1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INTERNATIONAL LLC (US) 2003-10-15 EP claimed
WO-2002046260-A1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INTERNATIONAL LLC (US) 2002-06-13 WO claimed
EP-1213309-A1 Supramolecular polymer forming polymer HUNTSMAN INTERNATIONAL LLC (US) 2002-06-12 EP claimed
EP-1352005-B1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INT LLC (US) 2008-10-29 EP disclosed
US-7390446-B2 fine cell structure, very good surface appearance, a relatively thin skin; As H-bridge-forming monomeric units, substituted ureido-pyrimidones and ureido-pyrimidines were used HUNTSMAN INTERNATIONAL LLC (US) 2008-06-24 US disclosed
US-20070149751-A1 Bulk manufacturing of supramolecular polymer forming polymer LINDSAY CHRISTOPHER I 2007-06-28 US disclosed
EP-1511794-B1 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INT LLC (US) 2007-05-02 EP disclosed
WO-2003099875-A2 FOAMED SUPRAMOLECULAR POLYMERS HUNTSMAN INTERNATIONAL LLC (US) 2003-12-04 WO disclosed
EP-1352005-A1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INTERNATIONAL LLC (US) 2003-10-15 EP disclosed
WO-2002046260-A1 SUPRAMOLECULAR POLYMER FORMING POLYMER HUNTSMAN INTERNATIONAL LLC (US) 2002-06-13 WO disclosed
EP-1213309-A1 Supramolecular polymer forming polymer HUNTSMAN INTERNATIONAL LLC (US) 2002-06-12 EP disclosed