SCHEMBL4634221

SCHEMBL4634221

O=[N+]([O-])c1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)nn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.63
▸ APP P05067 1/20 0.54
▸ CES1 P23141 1/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MGAM O43451 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ SI P14410 1/20 0.52
▸ MGAM2 Q2M2H8 1/20 0.52
▸ CA1 P00915 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 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
SCHEMBL26328841 0.90 XDH (0.54) XDHAPPCES1MAPTLMNA
SCHEMBL29769219 0.86 XDH (0.58) XDHAPPCES1MAPTLMNA
SCHEMBL25439856 0.85 TNFSF10 (0.57) XDHAPPCES1MAPTLMNA
SCHEMBL28198 0.82 CA1 (0.67) APPCES1MAPTLMNAGAA
SCHEMBL6423919 0.82 CA1 (0.67) APPCES1MAPTLMNAGAA
SCHEMBL27636049 0.80 MAPT (0.61) XDHAPPCES1MAPTLMNA
SCHEMBL8590673 0.80 XDH (0.53) XDHAPPCES1MAPTLMNA
Water SCHEMBL28670631 0.79 CA1 (0.64) APPCES1MAPTLMNAGAA
SCHEMBL30461132 0.79 MAOB (0.54) XDHAPPMAPTLMNAMGAM
SCHEMBL28711861 0.79 ALDH1A1 (0.65) APPCES1LMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597310-B1 ABSORBENT MATERIAL FOR USE IN HUMID CONDITIONS COMMW SCIENT IND RES ORG (AU) 2008-06-18 — — EP claimed
US-20060263502-A1 Absorbent material for use in humid conditions COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH INSTITUTE (AU) 2006-11-23 — — US claimed
EP-1597310-A4 ABSORBENT MATERIAL FOR USE IN HUMID CONDITIONS COMMW SCIENT IND RES ORG (AU) 2006-11-02 — — EP claimed
EP-1597310-A1 ABSORBENT MATERIAL FOR USE IN HUMID CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-11-23 — — EP claimed
WO-2004076545-A1 ABSORBENT MATERIAL FOR USE IN HUMID CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-09-10 — — WO claimed
EP-1597310-B1 ABSORBENT MATERIAL FOR USE IN HUMID CONDITIONS COMMW SCIENT IND RES ORG (AU) 2008-06-18 — — EP disclosed
US-20060263502-A1 Absorbent material for use in humid conditions COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH INSTITUTE (AU) 2006-11-23 — — US disclosed
EP-1597310-A4 ABSORBENT MATERIAL FOR USE IN HUMID CONDITIONS COMMW SCIENT IND RES ORG (AU) 2006-11-02 — — EP disclosed
EP-1597310-A1 ABSORBENT MATERIAL FOR USE IN HUMID CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2005-11-23 — — EP disclosed
WO-2004076545-A1 ABSORBENT MATERIAL FOR USE IN HUMID CONDITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-09-10 — — WO disclosed
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