SCHEMBL1230163

SCHEMBL1230163

O=C(O)C(Cc1c[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.72
KMT2A Q03164 1/20 0.64
ITGB2 P05107 4/20 0.64
ICAM1 P05362 4/20 0.64
ITGAL P20701 4/20 0.64
MMP2 P08253 3/20 0.57
CDK2 P24941 2/20 0.56
PTPRA P18433 1/20 0.53
PKM P14618 1/20 0.52
PKLR P30613 1/20 0.52
MMP9 P14780 3/20 0.51
CYP2C19 P33261 1/20 0.51
ERAP2 Q6P179 1/20 0.51
ACE P12821 1/20 0.50
ALOX15 P16050 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
SCHEMBL1229970 1.00 DNMT1 (0.72) DNMT1KMT2AITGB2ICAM1ITGAL
SCHEMBL5579691 0.89 KMT2A (0.63) DNMT1KMT2AITGB2ICAM1ITGAL
SCHEMBL5579686 0.89 KMT2A (0.63) DNMT1KMT2AITGB2ICAM1ITGAL
SCHEMBL14398100 0.88 ITGB2 (0.61) DNMT1KMT2AITGB2ICAM1ITGAL
SCHEMBL1653793 0.83 KMT2A (0.68) DNMT1KMT2AITGB2ICAM1ITGAL
SCHEMBL13554692 0.82 KMT2A (0.73) DNMT1KMT2AITGB2ICAM1ITGAL
SCHEMBL1333936 0.81 CRHBP (0.56) KMT2APKM
SCHEMBL1333933 0.81 CRHBP (0.56) KMT2APKM
SCHEMBL23174994 0.80 KMT2A (0.62) DNMT1KMT2AITGB2ICAM1ITGAL
SCHEMBL7054118 0.79 ALOX15 (0.64) KMT2AITGB2ICAM1ITGALMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 US claimed
EP-1700244-A4 A METHOD FOR DESIGNING SURFACES BIO LAYER PTY LTD (AU) 2009-07-08 EP claimed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 US claimed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 EP claimed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 WO claimed
US-7881871-B2 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2011-02-01 US disclosed
EP-1700244-A4 A METHOD FOR DESIGNING SURFACES BIO LAYER PTY LTD (AU) 2009-07-08 EP disclosed
EP-1331935-B1 DERIVATIVES OF TRYPTAMINE AND ANALOGOUS COMPOUNDS, AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM NEURIM PHARMA 1991 (IL) 2008-10-01 EP disclosed
US-20070099235-A1 Method for designing surfaces BIO-LAYER PTY LIMITED (AU) 2007-05-03 US disclosed
EP-1700244-A1 A METHOD FOR DESIGNING SURFACES Bio-Layer Pty Limited (AU) 2006-09-13 EP disclosed
WO-2005057462-A1 A METHOD FOR DESIGNING SURFACES BIO-LAYER PTY LIMITED (AU) 2005-06-23 WO disclosed