SCHEMBL25401761

SCHEMBL25401761

c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ncccc2-c2cccc3c2[nH]c2ccccc23)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 10/20 0.41
▸ IDO1 P14902 5/20 0.41
▸ HTR2B P41595 3/20 0.39
▸ HTR5A P47898 3/20 0.39
▸ BCHE P06276 2/20 0.38
▸ TOP1 P11387 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ HTR2C P28335 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ ALK Q9UM73 1/20 0.34

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
SCHEMBL30022794 0.87 TDO2 (0.51) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL25242173 0.87 TDO2 (0.51) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL25711606 0.80 KDM4E (0.40) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL17952930 0.79 KDM4E (0.44) —
SCHEMBL29006767 0.78 KDM4E (0.39) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL17952921 0.77 ALDH1A1 (0.37) —
SCHEMBL17952961 0.77 KDM4E (0.40) —
SCHEMBL17952970 0.77 KDM4E (0.40) —
SCHEMBL22180550 0.77 KDM4E (0.42) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL30789336 0.77 KDM4E (0.42) TDO2IDO1HTR2BHTR5ABCHE

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
WO-2023171544-A1 MIXED POWDER, METHOD FOR MANUFACTURING MIXED POWDER, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2023-09-14 — — WO disclosed
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