SCHEMBL7817103

SCHEMBL7817103

O=C1CCCC2=C1C(c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)N2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.71
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
FGB P02675 1/20 0.55
S100A4 P26447 1/20 0.55
KEAP1 Q14145 1/20 0.55
PLEC Q15149 1/20 0.55
NFE2L2 Q16236 1/20 0.55
GPR174 Q9BXC1 4/20 0.51
ABCC9 O60706 3/20 0.49
ABCC8 Q09428 3/20 0.49
KCNJ11 Q14654 3/20 0.49
KCNJ8 Q15842 3/20 0.49
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABCC4 O15439 1/20 0.45
PLIN1 O60240 1/20 0.45
CACNA1F O60840 1/20 0.45

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
SCHEMBL10478145 0.86 TDP1 (0.58) TDP1KMT2AMEN1FGBS100A4
SCHEMBL10704884 0.82 KDM4E (0.62) TDP1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL11687992 0.81 TDP1 (0.53) TDP1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL27590728 0.81 KDM4E (0.57) TDP1KMT2AMEN1FGBS100A4
SCHEMBL7821060 0.79 ALDH1A1 (0.56) TDP1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL29693490 0.78 SMN1; SMN2 (0.57) TDP1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7098717 0.77 CACNA1C (0.52) TDP1KMT2AMEN1FGBS100A4
SCHEMBL8741578 0.75 ABCC9 (0.65) TDP1KMT2AMEN1FGBS100A4
SCHEMBL7820651 0.74 ABCC9 (0.63) TDP1GPR174ABCC9ABCC8KCNJ11
SCHEMBL7814727 0.74 ABCC9 (0.60) TDP1KMT2AMEN1GPR174ABCC9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265127-B1 1, 4-dihydrophyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-07-24 US disclosed
EP-1109070-A2 1,4-Dihydropyridine charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 2001-06-20 EP disclosed
US-4859551-A Process for preparing positive and negative images using photohardenable electrostatic master E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-08-22 US disclosed
EP-0315121-A2 Process for preparing positive and negative images using photohardenable electrostatic master E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-05-10 EP disclosed
US-4269933-A PHOTOLITHOGRAPHY; POSITIVE AND NEGATIVE IMAGES; POLYMERIZATION OF A UNSATURATED POLYESTER USING A PHOTOSENSITIVE FREE RADICAL SYSTEM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-26 US disclosed
US-4198242-A Photopolymerizable composition containing an o-nitroaromatic compound as photoinhibitor E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-04-15 US disclosed