SCHEMBL29419985

SCHEMBL29419985

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(B(O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.50
LPL P06858 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP14 P54578 1/20 0.39
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
TRPV6 Q9H1D0 1/20 0.36
HTT P42858 4/20 0.35
GFER P55789 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL28718809 1.00 CA2 (0.50) CA2LPLLIPGPOLBMAPT
SCHEMBL13431620 0.92 KDM4E (0.44) CA2LPLLIPGPOLBMAPT
SCHEMBL355909 0.90 CA2 (0.50) CA2LPLLIPGPOLBMAPT
SCHEMBL12362820 0.88 POLB (0.43) CA2LPLLIPGPOLBMAPT
SCHEMBL12362779 0.87 GAA (0.43) CA2LPLLIPGPOLBMAPT
SCHEMBL17885395 0.85 ENPP2 (0.38) CA2LPLLIPGPOLBKDM4E
SCHEMBL15025823 0.85 POLB (0.44) POLBMAPTGAAKDM4EUSP14
SCHEMBL26218478 0.84 KDM4E (0.40) CA2LPLLIPGPOLBMAPT
SCHEMBL9913062 0.83 POLB (0.46) POLBMAPTGAAKDM4EUSP14
SCHEMBL30296694 0.83 KDM4E (0.44) CA2LPLLIPGPOLBMAPT

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
CN-114249685-A Ortho-diaryl substituted phenanthrene or phenanthroline carrier transport material and preparation method and application thereof 华南理工大学 2022-03-29 CN claimed
CN-114450814-A Laser element, compound, method for producing compound, and laser sensitizer 国立大学法人九州大学 2022-05-06 CN disclosed
CN-114249685-A Ortho-diaryl substituted phenanthrene or phenanthroline carrier transport material and preparation method and application thereof 华南理工大学 2022-03-29 CN disclosed