SCHEMBL30103683

SCHEMBL30103683

c1ccc(-c2ccccc2-c2ccccc2-c2c(-c3ncccc3-c3cccc4c3[nH]c3ccccc34)ccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 11/20 0.50
▸ HTR2B P41595 3/20 0.50
▸ HTR5A P47898 3/20 0.50
▸ BCHE P06276 2/20 0.46
▸ IDO1 P14902 4/20 0.44
▸ HTR2C P28335 1/20 0.41
▸ PARP14 Q460N5 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ PDE5A O76074 1/20 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
SCHEMBL30022552 0.86 PARP14 (0.48) TDO2HTR2BHTR5APARP14
SCHEMBL30021743 0.86 BCHE (0.48) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL31276334 0.85 TDO2 (0.54) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL29986280 0.84 TDO2 (0.50) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL3133995 0.84 TDO2 (0.66) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL16763182 0.84 TDO2 (0.61) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL31276033 0.82 GABRP (0.49) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL30022292 0.82 MAOA (0.47) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL31276021 0.82 MAOA (0.47) TDO2HTR2BHTR5ABCHEIDO1
SCHEMBL30021783 0.82 GABRP (0.49) TDO2HTR2BHTR5ABCHEIDO1

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-2022270428-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 — — WO disclosed
WO-2022270423-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 — — WO disclosed
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