SCHEMBL30022794

SCHEMBL30022794

c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2ncccc2-c2cccc3c2[nH]c2ccccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 11/20 0.51
▸ IDO1 P14902 6/20 0.51
▸ HTR2B P41595 3/20 0.49
▸ HTR5A P47898 3/20 0.49
▸ BCHE P06276 2/20 0.48
▸ HTR2C P28335 1/20 0.42
▸ NQO2 P16083 1/20 0.42

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
SCHEMBL25242173 1.00 TDO2 (0.51) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL25401761 0.87 TDO2 (0.41) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL3133995 0.86 TDO2 (0.66) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL18931238 0.83 KIF11 (0.45) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL18931288 0.83 KIF11 (0.45) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL27962668 0.81 BCHE (0.60) TDO2IDO1HTR2BHTR5ABCHE
Biphenyl SCHEMBL29268745 0.81 TDO2 (0.56) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL29177700 0.80 KIF11 (0.45) TDO2IDO1HTR2BHTR5ABCHE
SCHEMBL17231620 0.80 KIF11 (0.45) HTR2BHTR5ABCHE
SCHEMBL944436 0.80 KIF11 (0.47) BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023100891-A1 SOLID MOLTEN MIXTURE, SOLID COMPOSITION, MIXED POWDER, METHOD FOR CHOOSING ORGANIC COMPOUND, METHOD FOR PRODUCING SOLID MOLTEN MIXTURE, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2023-06-08 — — WO disclosed
WO-2022244864-A1 MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD 出光興産株式会社 2022-11-24 — — WO disclosed
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