SCHEMBL30332604

SCHEMBL30332604

c1ccc(-c2cc(-c3ccccc3)c(-c3cccc4c3[nH]c3ccccc34)c(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ TDO2 P48775 3/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ HTR5A P47898 1/20 0.45
▸ KIF11 P52732 1/20 0.45
▸ PARP14 Q460N5 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CDK4 P11802 5/20 0.44
▸ CCND1 P24385 5/20 0.44
▸ CCNB2 O95067 1/20 0.44
▸ CCNE2 O96020 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CCNB1 P14635 1/20 0.44
▸ CCNE1 P24864 1/20 0.44

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
SCHEMBL29177924 0.92 ESR1 (0.47) HPGDMAPK1HTTSMN1; SMN2ESR1
SCHEMBL30021110 0.92 ESR1 (0.47) HPGDMAPK1HTTSMN1; SMN2ESR1
SCHEMBL30567675 0.91 PARP14 (0.47) HPGDMAPK1HTTSMN1; SMN2ESR1
SCHEMBL30022037 0.88 PARP14 (0.45) HPGDMAPK1HTTSMN1; SMN2TDO2
SCHEMBL29177749 0.87 KIF11 (0.50) HPGDMAPK1HTTSMN1; SMN2ESR1
SCHEMBL15492053 0.85 ESR1 (0.50) HPGDESR1ESR2TDO2HTR2B
SCHEMBL29412285 0.85 CDK4 (0.55) HPGDMAPK1HTTSMN1; SMN2TDO2
SCHEMBL191031 0.85 CDK4 (0.55) HPGDMAPK1HTTSMN1; SMN2TDO2
SCHEMBL192833 0.84 PARP14 (0.49) HPGDMAPK1HTTSMN1; SMN2ESR1
SCHEMBL4451071 0.84 CDK4 (0.49) HPGDMAPK1HTTSMN1; SMN2ESR1

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
US-20240407244-A1 MIXED POWDER FOR AN ORGANIC ELECTROLUMINESCENCE DEVICE AND METHOD FOR PRODUCING THE SAME, METHOD FOR FABRICATING ORGANIC ELECTROLUMINESCENCE DEVICE BY USING THE MIXED POWDER, METHOD FOR SELECTING COMPOUNDS IN THE MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION IDEMITSU KOSAN CO.,LTD. (JP) 2024-12-05 — — US disclosed
WO-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 — — WO disclosed
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