SCHEMBL1668404

SCHEMBL1668404

CCc1c(CO)cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 7/20 0.45
GPR35 Q9HC97 5/20 0.45
KMT2A Q03164 5/20 0.43
MAPK1 P28482 4/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TTR P02766 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL7784631 0.90 HTT (0.58) HTTPOLBALDH1A1GPR35KMT2A
SCHEMBL4000997 0.84 HTT (0.53) HTTPOLBALDH1A1GPR35KMT2A
SCHEMBL8744302 0.80 ALDH1A1 (0.53) HTTPOLBALDH1A1GPR35KMT2A
SCHEMBL1667948 0.79 GPR35 (0.51) HTTPOLBALDH1A1GPR35KMT2A
SCHEMBL10619763 0.79 CYP1A2 (0.58) HTTPOLBALDH1A1GPR35KMT2A
SCHEMBL5083326 0.77 GPR35 (0.62) HTTPOLBALDH1A1GPR35KMT2A
SCHEMBL3475651 0.75 HTT (0.49) HTTPOLBALDH1A1GPR35KMT2A
SCHEMBL13941258 0.75 HTT (0.58) HTTPOLBALDH1A1GPR35KMT2A
SCHEMBL9077656 0.75 FBP1 (0.50) ALDH1A1GPR35KMT2AMEN1TDP1
SCHEMBL10659350 0.74 HTT (0.56) HTTPOLBALDH1A1GPR35KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed