SCHEMBL414469

SCHEMBL414469

CCCN(CCC)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 2/20 0.51
TSHR P16473 3/20 0.50
HCAR3 P49019 2/20 0.50
GPR35 Q9HC97 2/20 0.46
TDP1 Q9NUW8 5/20 0.43
MAPK1 P28482 2/20 0.43
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.38
VCAM1 P19320 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL27690591 0.85 MAPT (0.48) ALDH3A1TSHRHCAR3GPR35TDP1
SCHEMBL11570967 0.85 ALDH3A1 (0.59) ALDH3A1TSHRHCAR3TDP1MAPK1
SCHEMBL8811691 0.84 TSHR (0.47) ALDH3A1TSHRHCAR3GPR35TDP1
SCHEMBL11576923 0.80 TDP1 (0.59) ALDH3A1TSHRHCAR3GPR35TDP1
SCHEMBL3107372 0.77 ALDH3A1 (0.51) ALDH3A1TSHRHCAR3TDP1MAPK1
SCHEMBL9708896 0.76 ALDH3A1 (0.50) ALDH3A1TSHRHCAR3TDP1MAPK1
SCHEMBL8055524 0.75 ALDH3A1 (0.49) ALDH3A1TSHRHCAR3TDP1MAPK1
SCHEMBL9708914 0.75 MAPK1 (0.51) ALDH3A1TSHRHCAR3TDP1MAPK1
SCHEMBL9709293 0.75 ALDH3A1 (0.49) ALDH3A1TSHRHCAR3TDP1MAPK1
SCHEMBL28056012 0.75 TSHR (0.55) TSHRGPR35TDP1MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150307889-A1 HAPLOID MAIZE TRANSFORMATION CORTEVA AGRISCIENCE LLC 2015-10-29 US disclosed
US-9121032-B2 Selective ablation of diploid embryos E I DU PONT DE NEMOURS AND COMPANY (US) 2015-09-01 US disclosed
US-8859846-B2 Doubling of chromosomes in haploid embryos E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-10-14 US disclosed
US-20130205438-A1 DOUBLING OF CHROMOSOMES IN HAPLOID EMBRYOS PIONEER HI BRED INTERNATIONAL INC (US) 2013-08-08 US disclosed
US-20120311736-A1 SELECTIVE ABLATION OF DIPLOID EMBRYOS E.I. du Pont de Nemours and Company and Pioneer Hi-Bred International 2012-12-06 US disclosed
US-8269061-B2 Selective ablation of diploid embryos E.I. du Pont de Nmeours and Company (US) 2012-09-18 US disclosed
US-20120023612-A1 SELECTIVE ABLATION OF DIPLOID EMBRYOS E. I. DU PONT DE NEMOURS AND COMPANY AND PIONEER HI-BRED INTERNATIONAL, INC. (US) 2012-01-26 US disclosed
US-20080216191-A1 Pollinating silks of maize ear, contacting haploid embryo with chromosome doubling agent (colchicine), propagate cells; generating homozygosity in plants PIONEER HI-BRED INTERNATIONAL, INC. (US) 2008-09-04 US disclosed
US-20080189801-A1 Selective Ablation of Diploid Embryos PIONNER HI-BRED INTERNATIONAL, INC. 2008-08-07 US disclosed