SCHEMBL29720579

SCHEMBL29720579

O=[N+]([O-])c1ccc2c(c1[N+](=O)[O-])CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
MAPT P10636 4/20 0.40
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL9452596 1.00 HTR2A (0.45) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL19830023 0.81 ALDH1A1 (0.48) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL2245003 0.80 GRIN2D (0.41) TSHRALDH1A1CYP3A4ALOX15GRIN2D
SCHEMBL6478476 0.80 HTR2A (0.44) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL6996430 0.80 BCL2L1 (0.44) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL19810482 0.79 MEN1 (0.42) TSHRALDH1A1HSD17B10CYP3A4ALOX15
SCHEMBL13006229 0.79 GRIN2D (0.40) TSHRALDH1A1CYP3A4ALOX15GRIN2D
SCHEMBL30503607 0.78 MAPT (0.47) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL9452622 0.78 MAPT (0.47) HTR2AHTR2CHTR2BTSHRALDH1A1
SCHEMBL8730062 0.77 TDP1 (0.45) HTR2AHTR2CHTR2BALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225728-A1 MIXED AROMATIC AMINE MONOMERS AND POLYMERS THEREOF ExxonMobil Technology and Engineering Company (US) 2023-08-16 EP disclosed
CN-116323548-A Mixed aromatic amine monomers and polymers thereof 埃克森美孚技术与工程公司 2023-06-23 CN disclosed
WO-2022082148-A1 MIXED AROMATIC AMINE MONOMERS AND POLYMERS THEREOF EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2022-04-21 WO disclosed