SCHEMBL9621885

SCHEMBL9621885

O=[N+]([O-])c1c([N+](=O)[O-])c(O)c2ccccc2c1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.83
GRIN2D O15399 1/20 0.59
GRIN3B O60391 1/20 0.59
GRIN1 Q05586 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2B Q13224 1/20 0.59
GRIN2C Q14957 1/20 0.59
GRIN3A Q8TCU5 1/20 0.59
CYP3A4 P08684 1/20 0.54
CTSB P07858 2/20 0.50
CASP6 P55212 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
GPR35 Q9HC97 2/20 0.48
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL29849465 1.00 S100A4 (0.83) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6890966 0.89 S100A4 (0.74) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7915412 0.88 S100A4 (0.80) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL25322776 0.80 S100A4 (0.67) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL480564 0.80 S100A4 (0.66) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29674860 0.79 CYP3A4 (0.70) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2285808 0.79 CYP3A4 (0.70) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2829878 0.77 S100A4 (0.64) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL251627 0.77 S100A4 (0.58) S100A4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4369022 0.77 CASP6 (0.75) S100A4GRIN2DGRIN3BGRIN1GRIN2A

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
CN-112794856-B Organic compounds, mixtures, compositions and uses thereof 广州华睿光电材料有限公司 2022-10-04 CN disclosed
CN-112794856-A Organic compounds, mixtures, compositions and uses thereof 广州华睿光电材料有限公司 2021-05-14 CN disclosed
US-5128429-A Low temperature block polymerization without randomization RAYCHEM LIMITED (GB) 1992-07-07 US disclosed
EP-0154506-B1 PREPARATION OF ORGANIC POLYMERS RAYCHEM LIMITED (GB) 1992-02-05 EP disclosed
US-4999411-A Polythioethers, polythiocarbonates, polythioamides, polythioimides RAYCHEM LIMITED (GB) 1991-03-12 US disclosed
US-4960835-A ENGINEERING THERMOPLASTICS RAYCHEM LIMITED (GB) 1990-10-02 US disclosed
US-4845179-A CONDENSATION POLYMERIZATION RAYCHEM LIMITED (GB) 1989-07-04 US disclosed
EP-0154506-A2 Preparation of organic polymers RAYCHEM LIMITED (GB) 1985-09-11 EP disclosed