SCHEMBL1667948

SCHEMBL1667948

Cc1c(CO)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 4/20 0.46
MAPK1 P28482 4/20 0.46
HTT P42858 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
CYP1A2 P05177 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TTR P02766 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 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
SCHEMBL13941258 0.85 HTT (0.58) GPR35ALDH1A1KMT2AMAPK1HTT
SCHEMBL19785780 0.84 GPR35 (0.55) GPR35ALDH1A1KMT2ATDP1CYP1A2
SCHEMBL30407568 0.84 ALDH1A1 (0.49) GPR35ALDH1A1KMT2AMAPK1HTT
SCHEMBL23213701 0.84 ALDH1A1 (0.49) GPR35ALDH1A1KMT2AMAPK1HTT
SCHEMBL29613564 0.84 GPR35 (0.55) GPR35ALDH1A1KMT2ATDP1CYP1A2
Trinitrotoluene SCHEMBL28203348 0.83 GPR35 (0.56) GPR35ALDH1A1KMT2AMAPK1HTT
SCHEMBL19526600 0.82 ALDH1A1 (0.47) GPR35ALDH1A1KMT2AMAPK1HTT
SCHEMBL18676381 0.82 ALDH1A1 (0.47) GPR35ALDH1A1KMT2AMAPK1HTT
SCHEMBL17004031 0.82 ALDH1A1 (0.47) GPR35ALDH1A1KMT2AMAPK1HTT
SCHEMBL15776945 0.81 L3MBTL1 (0.46) GPR35ALDH1A1KMT2AMAPK1TDP1

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
EP-2486115-B1 ELECTRORHEOLOGIC FLUID COMPRISING ORGANIC SUBSTANCES THAT CAN BE DOPED AND USE THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2015-05-20 EP claimed
EP-2486115-B1 ELECTRORHEOLOGIC FLUID COMPRISING ORGANIC SUBSTANCES THAT CAN BE DOPED AND USE THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2015-05-20 EP disclosed
EP-2486115-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer Gesellschaft zur Förderung der angewandten Wissenschaft E.V. (DE) 2012-08-15 EP disclosed
WO-2011042117-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-04-14 WO disclosed
US-4436751-A Nitrobenzyl monates antibacterial compounds BEECHAM GROUP LIMITED (GB) 1984-03-13 US disclosed
EP-0055616-A1 Antibacterial compounds BEECHAM GROUP PLC (GB) 1982-07-07 EP disclosed