SCHEMBL8213405

SCHEMBL8213405

O=[N+]([O-])c1cc(CCl)cc([N+](=O)[O-])c1CCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.36
GPR35 Q9HC97 4/20 0.35
SNCA P37840 1/20 0.35
CYP3A4 P08684 3/20 0.34
HPGD P15428 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34
HIF1A Q16665 1/20 0.34
TXNRD1 Q16881 1/20 0.34
TXNRD3 Q86VQ6 1/20 0.34
TXNRD2 Q9NNW7 1/20 0.34
VCAM1 P19320 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33

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
SCHEMBL11323967 0.83 GPR35 (0.50) TSHRALDH1A1MAPK1GPR35CYP3A4
SCHEMBL8936668 0.82 ALDH1A1 (0.39) TSHRALDH1A1MAPK1VCAM1MAPT
SCHEMBL11812535 0.77 ALDH1A1 (0.41) TSHRALDH1A1SNCATDP1ALOX15
SCHEMBL11318163 0.76 ALDH1A1 (0.61) TSHRALDH1A1GPR35HPGDTDP1
SCHEMBL8214082 0.74 ALDH1A1 (0.44) TSHRALDH1A1MAPK1GPR35SNCA
SCHEMBL4520586 0.74 VCAM1 (0.53) TSHRALDH1A1MAPK1TDP1VCAM1
SCHEMBL30595359 0.74 TSHR (0.58) TSHRALDH1A1MAPK1SNCAMAPT
SCHEMBL6017659 0.74 TSHR (0.58) TSHRALDH1A1MAPK1SNCAMAPT
SCHEMBL8820291 0.73 KMT2A (0.47) ALDH1A1MAPK1HPGDTDP1MAPT
SCHEMBL1316710 0.73 TSHR (0.64) TSHRALDH1A1GPR35CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997048677-A1 NON-IONIC PHOTOACID GENERATORS WITH IMPROVED QUANTUM EFFICIENCY PPG INDUSTRIES, INC. (US) 1997-12-24 WO claimed
US-6100008-A POSITIVE ACTING PHOTORESIST COMPRISES ATLEAST ONE POSITIVE ACTING PHOTOACTIVE POLYMERIC COMPOUND CONTAINING 2,6 OR 2,5 DINITRO SUBSTITUTED BENZENE COMPOUND AND A DIMETHYL ANILINE COMPOUND PPG INDUSTRIES OHIO, INC. (US) 2000-08-08 US disclosed
EP-0770053-B1 POSITIVE PHOTOACTIVE COMPOUNDS BASED ON 2,6-DINITROBENZYL GROUPS PPG IND OHIO INC (US) 1999-08-18 EP disclosed
US-5733479-A ELECTRODEPOSITION PHOTORESISTS PPG INDUSTRIES, INC. (US) 1998-03-31 US disclosed
WO-1997048677-A1 NON-IONIC PHOTOACID GENERATORS WITH IMPROVED QUANTUM EFFICIENCY PPG INDUSTRIES, INC. (US) 1997-12-24 WO disclosed
EP-0770053-A1 POSITIVE PHOTOACTIVE COMPOUNDS BASED ON 2,6-DINITROBENZYL GROUPS PPG INDUSTRIES, INC. (US) 1997-05-02 EP disclosed
US-5600035-A PHOTORESISTS; POLYMER MONOMERS PPG INDUSTRIES, INC. (US) 1997-02-04 US disclosed
WO-1996002491-A1 POSITIVE PHOTOACTIVE COMPOUNDS BASED ON 2,6-DINITROBENZYL GROUPS PPG INDUSTRIES, INC. (US) 1996-02-01 WO disclosed