SCHEMBL17427792

SCHEMBL17427792

O=C1c2c([N+](=O)[O-])ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc([N+](=O)[O-])c21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.75
CYP3A4 P08684 3/20 0.75
TP53 P04637 2/20 0.75
HIF1A Q16665 2/20 0.75
HPGD P15428 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
S100A4 P26447 2/20 0.58
MAPT P10636 2/20 0.57
CASP6 P55212 2/20 0.57
POLB P06746 1/20 0.57
APEX1 P27695 1/20 0.57
CSNK2A2 P19784 1/20 0.56
CSNK2B P67870 1/20 0.56
CSNK2A1 P68400 1/20 0.56
CSNK2A3 Q8NEV1 1/20 0.56
ACHE P22303 2/20 0.54
BCHE P06276 1/20 0.54
CES1 P23141 1/20 0.54
PTPRC P08575 1/20 0.52
TDP1 Q9NUW8 4/20 0.48

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
SCHEMBL10355816 0.87 TSHR (0.60) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL11250084 0.87 TSHR (0.60) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL3501895 0.87 TSHR (1.00) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL12110300 0.87 TSHR (0.60) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL10356144 0.87 TSHR (1.00) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL5187677 0.87 TSHR (0.60) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL10726245 0.87 TSHR (0.60) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL10356103 0.87 TSHR (1.00) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL11749574 0.87 TSHR (0.60) TSHRCYP3A4TP53HIF1AHPGD
SCHEMBL186885 0.87 TSHR (1.00) TSHRCYP3A4TP53HIF1AHPGD

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
US-20170194547-A1 THERMOELECTRIC CONVERSION MATERIAL, THERMOELECTRIC CONVERSION ELEMENT, ARTICLE FOR THERMOELECTRIC POWER GENERATION AND POWER SUPPLY FOR SENSOR FUJIFILM CORPORATION (JP) 2017-07-06 US disclosed
US-20170194547-A1 THERMOELECTRIC CONVERSION MATERIAL, THERMOELECTRIC CONVERSION ELEMENT, ARTICLE FOR THERMOELECTRIC POWER GENERATION AND POWER SUPPLY FOR SENSOR FUJIFILM CORPORATION (JP) 2017-07-06 US disclosed
US-9660166-B2 Thermoelectric conversion material, thermoelectric conversion element, article for thermoelectric power generation and power supply for sensor FUJIFILM CORPORATION (JP) 2017-05-23 US disclosed
US-9660166-B2 Thermoelectric conversion material, thermoelectric conversion element, article for thermoelectric power generation and power supply for sensor FUJIFILM CORPORATION (JP) 2017-05-23 US disclosed
US-20160099397-A1 COMPOSITION FOR FORMING THERMOELECTRIC CONVERSION LAYER, THERMOELECTRIC CONVERSION ELEMENT, AND THERMOELECTRIC POWER GENERATING COMPONENT FUJIFILM CORPORATION (JP) 2016-04-07 US disclosed
US-20160099397-A1 COMPOSITION FOR FORMING THERMOELECTRIC CONVERSION LAYER, THERMOELECTRIC CONVERSION ELEMENT, AND THERMOELECTRIC POWER GENERATING COMPONENT FUJIFILM CORPORATION (JP) 2016-04-07 US disclosed
US-20160013390-A1 THERMOELECTRIC CONVERSION MATERIAL, THERMOELECTRIC CONVERSION ELEMENT, ARTICLE FOR THERMOELECTRIC POWER GENERATION AND POWER SUPPLY FOR SENSOR FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed
US-20160013390-A1 THERMOELECTRIC CONVERSION MATERIAL, THERMOELECTRIC CONVERSION ELEMENT, ARTICLE FOR THERMOELECTRIC POWER GENERATION AND POWER SUPPLY FOR SENSOR FUJIFILM CORPORATION (JP) 2016-01-14 US disclosed