SCHEMBL30103674

SCHEMBL30103674

c1ccc(-c2c(-c3cccc4c3[nH]c3ccccc34)cc3c([nH]c4ccccc43)c2-c2cccc3oc4ccccc4c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 11/20 0.40
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ CDK4 P11802 4/20 0.36
▸ CCND1 P24385 4/20 0.36
▸ CCNB2 O95067 1/20 0.36
▸ CCNE2 O96020 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CCNB3 Q8WWL7 1/20 0.36
▸ MAP3K11 Q16584 2/20 0.35
▸ MAP3K9 P80192 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35

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
SCHEMBL30333067 0.82 PARP14 (0.47) PARP14MAP3K11
SCHEMBL1495149 0.82 PARP14 (0.47) PARP14MAP3K11
SCHEMBL4530298 0.82 PARP14 (0.44) PARP14HTR2BHTR5ATDO2CDK4
SCHEMBL30022409 0.82 GABRP (0.44) PARP14MAP3K11MAP3K9
SCHEMBL30103785 0.81 CDK4 (0.39) PARP14HTR2BHTR5ATDO2CDK4
SCHEMBL30332625 0.79 CDK4 (0.39) PARP14HTR2BHTR5ATDO2CDK4
SCHEMBL30567675 0.78 PARP14 (0.47) PARP14HTR2BHTR5ATDO2ESR1
SCHEMBL29961348 0.78 AHR (0.41) PARP14TDO2CDK4CCND1CCNE2
SCHEMBL30332318 0.78 GABRP (0.40) PARP14HTR2BHTR5ATDO2CDK4
SCHEMBL24882815 0.77 CDK4 (0.48) PARP14HTR2BHTR5ATDO2CDK4

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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