SCHEMBL28613752

SCHEMBL28613752

C1=Cc2ccccc2OC1.[Cr].[MgH2]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 3/20 0.41
STS P08842 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL1082812 0.98 CYP2B6 (0.42) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL4435554 0.98 CYP2B6 (0.42) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL29051530 0.98 CYP2B6 (0.42) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL29937847 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL27831426 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL28231769 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL19691417 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL28203514 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
Methane SCHEMBL28913801 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1
SCHEMBL27328255 0.96 CYP2B6 (0.41) CYP2B6STSABCG2ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109534788-B Low-chromium magnesia-chrome brick for glass kiln 瑞泰科技股份有限公司 2021-08-31 CN claimed