SCHEMBL989658

SCHEMBL989658

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.59
▸ MAPT P10636 3/20 0.54
▸ POLB P06746 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ GPR35 Q9HC97 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HIF1A Q16665 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ FLT4 P35916 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46

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
SCHEMBL989661 1.00 CES2 (0.59) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL503450 0.82 CES2 (0.66) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL11459254 0.81 CES2 (0.59) CES2MAPTPOLBALDH1A1SMN1; SMN2
Benzene SCHEMBL10436420 0.81 CES2 (0.69) CES2MAPTPOLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3126469 0.81 CES2 (0.64) CES2MAPTPOLBALDH1A1SMN1; SMN2
Benzene SCHEMBL10436419 0.81 CES2 (0.69) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL5341177 0.80 CES2 (0.63) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL23037543 0.79 CES2 (0.62) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL9692669 0.79 CES2 (0.61) CES2MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL3885239 0.78 AKR1C3 (0.51) MAPTALDH1A1SMN1; SMN2MAPK1CYP1A2

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
EP-2275870-A1 Method of manufacturing cylinder-shaped flexographic plates using digital images Flint Group Germany GmbH (DE) 2011-01-19 — — EP disclosed
EP-1542692-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN Amgen Inc. (US) 2005-06-22 — — EP disclosed
EP-1146083-B1 USE OF A RESIN MATERIAL FOR ELECTRICAL INSULATING AND ELECTRIC WIRE AND CABLE USING THE SAME JAPAN POLYOLEFINS CO LTD (JP) 2005-01-05 — — EP disclosed
WO-2003099284-A1 AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN AMGEN INC. (US) 2003-12-04 — — WO disclosed
US-6479590-B1 Electrical insulating resin material, electrical insulating material, and electric wire and cable using the same JAPAN POLYOLEFINS CO., LTD. (JP) 2002-11-12 — — US disclosed
EP-1213615-A2 Photosensitive flexographic printing element having at least two infrared ablatable layers BASF Drucksysteme GmbH (DE) 2002-06-12 — — EP disclosed
EP-1146083-A1 ELECTRICAL INSULATING RESIN MATERIAL, ELECTRICAL INSULATING MATERIAL, AND ELECTRIC WIRE AND CABLE USING THE SAME Japan Polyolefins Co., Ltd. (JP) 2001-10-17 — — EP disclosed
US-5304619-A Containing nitrile or nitro polar groups; high voltage NIPPON PETROCHEMICALS CO., LTD. (JP) 1994-04-19 — — US disclosed
EP-0463402-A2 Ethylene polymers or copolymers having improved insulating properties, compositions, and power cables made therefrom NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1992-01-02 — — EP disclosed
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