SCHEMBL30103704

SCHEMBL30103704

c1ccc(-c2cccc(-c3cccc4c3[nH]c3ccccc34)c2N(c2ccccc2-c2cccc3oc4ccccc4c23)c2ccccc2-c2cccc3oc4ccccc4c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 13/20 0.36
▸ CDK4 P11802 5/20 0.36
▸ CCND1 P24385 5/20 0.36
▸ HTR2B P41595 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNB3 Q8WWL7 1/20 0.34
▸ KIF11 P52732 1/20 0.33

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
SCHEMBL30022141 0.99 PARP14 (0.35) PARP14CDK4CCND1HTR2BHTR5A
SCHEMBL30302812 0.98 PARP14 (0.35) PARP14CDK4CCND1HTR2BHTR5A
SCHEMBL30302968 0.88 PARP14 (0.38) PARP14CDK4CCND1HTR2BHTR5A
SCHEMBL30021985 0.86 TDO2 (0.36) PARP14CDK4CCND1HTR2BHTR5A
SCHEMBL30302977 0.86 PARP14 (0.43) PARP14CDK4CCND1HTR2BHTR5A
SCHEMBL30302787 0.84 CDK4 (0.35) PARP14CDK4CCND1HTR2BHTR5A
SCHEMBL29177911 0.84 CDK4 (0.35) PARP14CDK4CCND1HTR2BHTR5A
SCHEMBL30333067 0.82 PARP14 (0.47) PARP14KIF11
SCHEMBL1495149 0.82 PARP14 (0.47) PARP14KIF11
SCHEMBL30103733 0.80 PARP14 (0.41) PARP14CDK4CCND1HTR2BHTR5A

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-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-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
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