SCHEMBL28594333

SCHEMBL28594333

[c]1ccc(-c2cccc3ccccc23)c(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MPI P34949 1/20 0.40
▸ CYP2C9 P11712 2/20 0.38

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
SCHEMBL28592107 0.93 MAPT (0.41) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL28981543 0.89 ALDH1A1 (0.38) MAPTKDM4EALDH1A1HPGDTDP1
Water SCHEMBL27984347 0.81 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL29463735 0.81 TNF (0.52) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL867854 0.81 TNF (0.52) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL623148 0.81 TNF (0.52) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL29732781 0.81 TNF (0.52) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL2255304 0.80 TNF (0.49) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL144462 0.80 TNF (0.44) MAPTKDM4EALDH1A1HPGDTDP1
SCHEMBL2268337 0.80 CYP1A2 (0.41) MAPTKDM4EALDH1A1HPGDTDP1

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-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 — — CN disclosed
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