SCHEMBL7015500

SCHEMBL7015500

O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
TSHR P16473 4/20 0.38
MAPK1 P28482 1/20 0.38
GPR35 Q9HC97 2/20 0.37
VCAM1 P19320 5/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
AKR1B1 P15121 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL192328 0.81 TDP1 (0.46) TDP1HTR2AHTR2CHTR2BTSHR
SCHEMBL12280346 0.81 TDP1 (0.37) TDP1TSHRMAPK1GPR35VCAM1
SCHEMBL27331521 0.81 TDP1 (0.48) TDP1HTR2AHTR2CHTR2BTSHR
SCHEMBL4710545 0.76 TDP1 (0.43) TDP1TSHRMAPK1GPR35ALDH1A1
SCHEMBL28391943 0.73 TDP1 (0.81) TDP1HTR2AHTR2CHTR2BTSHR
SCHEMBL22588385 0.71 MERTK (0.53) TDP1MAPK1ALDH1A1HPGDL3MBTL1
SCHEMBL1935380 0.69 ALDH1A1 (0.48) TDP1TSHRALDH1A1CYP3A4HPGD
SCHEMBL28224311 0.69 TDP1 (0.48) TDP1TSHRMAPK1GPR35VCAM1
SCHEMBL1460867 0.69 TDP1 (0.61) TDP1TSHRMAPK1GPR35VCAM1
SCHEMBL22588351 0.68 L3MBTL1 (0.55) TDP1MAPK1ALDH1A1CYP3A4HPGD

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
US-9902858-B2 Nonlinear optical dye, photorefractive material composition, photorefractive substrate and hologram recording medium TOYO KOHAN CO., LTD. (JP) 2018-02-27 US disclosed
US-20160230010-A1 NONLINEAR OPTICAL DYE, PHOTOREFRACTIVE MATERIAL COMPOSITION, PHOTOREFRACTIVE SUBSTRATE AND HOLOGRAM RECORDING MEDIUM TOYO KOHAN CO., LTD. (JP) 2016-08-11 US disclosed
EP-1368342-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2003-12-10 EP disclosed
WO-2002050062-A2 BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS NEUROGEN CORPORATION (US) 2002-06-27 WO disclosed