SCHEMBL1230449

SCHEMBL1230449

CCCCC(N)(C(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
POLB P06746 3/20 0.45
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
GPR35 Q9HC97 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL9492548 0.89 POLB (0.40) ALDH1A1TDP1POLBCYP1A2GAA
SCHEMBL4848695 0.88 CYP1A2 (0.44) ALDH1A1TDP1POLBCYP1A2GAA
SCHEMBL3988349 0.87 TDP1 (0.48) ALDH1A1TDP1POLBCYP1A2GAA
SCHEMBL10535526 0.86 TDP1 (0.47) ALDH1A1TDP1POLBCYP1A2GAA
SCHEMBL7820981 0.85 ALDH1A1 (0.37) ALDH1A1TDP1POLBCYP1A2GAA
SCHEMBL16266196 0.83 CYP1A2 (0.49) ALDH1A1TDP1POLBCYP1A2GAA
SCHEMBL29828109 0.83 CYP1A2 (0.49) ALDH1A1TDP1POLBCYP1A2GAA
SCHEMBL27951254 0.80 ALDH1A1 (0.46) ALDH1A1TDP1POLBCYP1A2GAA
SCHEMBL3466829 0.80 TDP1 (0.44) ALDH1A1TDP1POLBGAASMN1; SMN2
SCHEMBL12985822 0.78 TSHR (0.40) ALDH1A1TDP1GAASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10663471-B2 Fluorescent sensors of peroxynitrite targeted to the endoplasmic reticulum THE UNIVERSITY OF KANSAS (US) 2020-05-26 US claimed
US-20190310263-A1 FLUORESCENT SENSORS OF PEROXYNITRITE TARGETED TO THE ENDOPLASMIC RETICULUM THE UNIVERSITY OF KANSAS 2019-10-10 US claimed
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-10663471-B2 Fluorescent sensors of peroxynitrite targeted to the endoplasmic reticulum THE UNIVERSITY OF KANSAS (US) 2020-05-26 US disclosed
US-20190310263-A1 FLUORESCENT SENSORS OF PEROXYNITRITE TARGETED TO THE ENDOPLASMIC RETICULUM THE UNIVERSITY OF KANSAS 2019-10-10 US disclosed
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
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
US-5256395-A Drug delivery by administering a receptor binding assay having a dual preferential monoclonal antibody conjugating with predetermined haptens IMMUNOTECH PARTNERS (FR) 1993-10-26 US disclosed
EP-0263046-B1 AFFINITY ENHANCEMENT IMMUNOLOGICAL REAGENTS FOR DETECTION AND KILLING OF SPECIFIC TARGET CELLS IMMUNOTECH PARTNERS (FR) 1992-04-15 EP disclosed
EP-0263046-A1 Affinity enhancement immunological reagents for detection and killing of specific target cells IMMUNOTECH PARTNERS (FR) 1988-04-06 EP disclosed