SCHEMBL828239

SCHEMBL828239

C=C(c1c([N+](=O)[O-])cccc1[N+](=O)[O-])N(C)C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GPR35 Q9HC97 2/20 0.48
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.40
ERN1 O75460 1/20 0.40
S100A4 P26447 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7751508 0.75 PDE10A (0.45) TDP1L3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL15172272 0.73 TDP1 (0.67) TDP1L3MBTL1GPR35TSHRSMN1; SMN2
SCHEMBL28114934 0.73 KMT2A (0.53) TDP1L3MBTL1GPR35TSHRSMN1; SMN2
SCHEMBL23302690 0.71 TDP1 (0.47) TDP1L3MBTL1GPR35TSHRSMN1; SMN2
SCHEMBL14576460 0.71 TDP1 (0.47) TDP1L3MBTL1GPR35TSHRSMN1; SMN2
SCHEMBL11471200 0.71 TDP1 (0.47) TDP1L3MBTL1GPR35TSHRSMN1; SMN2
SCHEMBL5098760 0.71 TSHR (0.59) TDP1L3MBTL1GPR35TSHRSMN1; SMN2
SCHEMBL10744468 0.70 TDP1 (0.50) TDP1L3MBTL1GPR35TSHRSMN1; SMN2
SCHEMBL14601081 0.70 TDP1 (0.50) TDP1L3MBTL1GPR35TSHRSMN1; SMN2
SCHEMBL1554602 0.70 TDP1 (0.75) TDP1L3MBTL1GPR35TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356661-B1 ELECTRICALLY CONDUCTIVE POLYMER COMPOSITIONS DU PONT (US) 2015-07-08 EP disclosed
US-8142686-B2 Electrically conductive polymer compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-03-27 US disclosed
EP-2370481-A2 ELECTRICALLY CONDUCTIVE POLYMER COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2011-10-05 EP disclosed
EP-2356661-A2 ELECTRICALLY CONDUCTIVE POLYMER COMPOSITIONS E. I. du Pont de Nemours and Company (US) 2011-08-17 EP disclosed
US-20110049431-A1 ELECTRICALLY CONDUCTIVE POLYMER COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-03 US disclosed
WO-2010077713-A2 ELECTRICALLY CONDUCTIVE POLYMER COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-08 WO disclosed
WO-2010077710-A2 ELECTRICALLY CONDUCTIVE POLYMER COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-08 WO disclosed