SCHEMBL10033263

SCHEMBL10033263

O=CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 8/20 0.50
MAPK1 P28482 3/20 0.50
GPR35 Q9HC97 2/20 0.50
HIF1A Q16665 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.44
TLR9 Q9NR96 1/20 0.44
ALOX5 P09917 1/20 0.44

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
SCHEMBL30496244 0.84 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL27291676 0.84 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL7080582 0.84 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL11196837 0.84 CYP1A2 (0.57) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL27961047 0.83 CYP1A2 (0.68) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL9282609 0.81 CYP1A2 (0.54) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL9001715 0.81 CYP1A2 (0.54) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL9280595 0.81 CYP1A2 (0.54) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL5333075 0.81 CYP1A2 (0.66) CYP1A2TDP1ALDH1A1MAPK1GPR35
SCHEMBL2236124 0.81 CYP1A2 (0.41) CYP1A2TDP1ALDH1A1MAPK1GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012002501-A1 LIQUID CRYSTAL ALIGNMENT TREATMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH THE LIQUID CRYSTAL ALIGNMENT FILM 日産化学工業株式会社 (JP) 2012-01-05 WO disclosed
EP-1392680-B1 SELECTIVE ANTHRANILAMIDE PYRIDINE AMIDES AS INHIBITORS OF VEGFR-2 AND VEGFR-3 BAYER SCHERING PHARMA AG (DE) 2009-07-22 EP disclosed
CN-100509761-C Labelling reagents, method for synthesis of said reagents and methods for detecting biological molecules BIO MERIEUX UNIVERSITY JOSEPH (FR) 2009-07-08 CN disclosed
CN-1518536-A Labelling reagents, method for synthesis of said reagents and methods for detecting biological molecules ��¡���ӹɷ����޹�˾ 2004-08-04 CN disclosed