SCHEMBL9815372

SCHEMBL9815372

N#CC(C#N)=C1c2cccc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.70
IDO1 P14902 1/20 0.54
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
S100A4 P26447 2/20 0.45
EGFR P00533 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PTPRC P08575 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3466856 0.90 HPRT1 (0.79) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL11587922 0.88 HPRT1 (0.81) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL11587481 0.86 HPRT1 (0.77) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL30309848 0.83 HPRT1 (1.00) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL14560966 0.83 HPRT1 (0.68) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL29413354 0.83 HPRT1 (1.00) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL1034255 0.83 HPRT1 (1.00) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL11874729 0.79 HPRT1 (0.62) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL11118142 0.79 HPRT1 (0.66) HPRT1IDO1MAPTKDM4EMAPK1
SCHEMBL1673468 0.76 S100A4 (0.47) HPRT1IDO1MAPTMAPK1S100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0249125-B1 PROCESS FOR THE PRODUCTION OF AN ELECTRICALLY CONDUCTIVE SURFACE LAYER ON MOULDED PLASTIC ARTICLES BASF Aktiengesellschaft (DE) 1991-10-16 EP disclosed
US-4897289-A DISSOVING OR SWELLING THE SURFACE WITH A SOLVENT AND APPLYING AN ORGANIC ELECTRON ACCEPTOR, ORGANIC ELECTRON DONORS AND/OR IODIDES BASF AKTIENGESELLSCHAFT (DE) 1990-01-30 US disclosed
EP-0249125-A2 Process for the production of an electrically conductive surface layer on moulded plastic articles BASF Aktiengesellschaft (DE) 1987-12-16 EP disclosed