SCHEMBL30021985

SCHEMBL30021985

c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2N(c2ccccc2-c2cccc3oc4ccccc4c23)c2cccc(-c3ccccc3)c2-c2cccc3c2[nH]c2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 2/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ CDK4 P11802 5/20 0.35
▸ CCND1 P24385 5/20 0.35
▸ PARP14 Q460N5 9/20 0.34
▸ MAP3K11 Q16584 2/20 0.33
▸ MAP3K9 P80192 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ KIF11 P52732 1/20 0.32

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
SCHEMBL30302787 0.89 CDK4 (0.35) TDO2HTR2BHTR5ACDK4CCND1
SCHEMBL29177911 0.89 CDK4 (0.35) TDO2HTR2BHTR5ACDK4CCND1
SCHEMBL30302812 0.88 PARP14 (0.35) TDO2HTR2BHTR5ACDK4CCND1
SCHEMBL30302828 0.88 TDO2 (0.43) TDO2HTR2BHTR5ACDK4CCND1
SCHEMBL30302968 0.87 PARP14 (0.38) TDO2HTR2BHTR5ACDK4CCND1
SCHEMBL30103704 0.86 PARP14 (0.36) TDO2HTR2BHTR5ACDK4CCND1
SCHEMBL30022141 0.85 PARP14 (0.35) TDO2HTR2BHTR5ACDK4CCND1
SCHEMBL30302700 0.84 CDC14B (0.36) —
SCHEMBL30021584 0.83 CDC14B (0.36) —
SCHEMBL30332625 0.82 CDK4 (0.39) TDO2HTR2BHTR5ACDK4CCND1

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
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
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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