SCHEMBL29994040

SCHEMBL29994040

c1ccc(-c2ccccc2-n2c3ccccc3c3cc(-c4cccc5c4[nH]c4ccccc45)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 6/20 0.39
▸ CCND1 P24385 6/20 0.39
▸ CCNB2 O95067 1/20 0.39
▸ CCNE2 O96020 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CCNB3 Q8WWL7 1/20 0.39
▸ PARP14 Q460N5 6/20 0.38
▸ FEN1 P39748 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDO2 P48775 4/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ KIF11 P52732 1/20 0.35
▸ GABRP O00591 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
SCHEMBL18705760 0.89 KDM4E (0.41) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL21375324 0.89 KDM4E (0.46) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL25767583 0.87 KDM4E (0.44) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL262275 0.86 HPGD (0.39) CDK4CCND1HPGDMAPK1HTT
SCHEMBL29436282 0.86 HPGD (0.39) CDK4CCND1HPGDMAPK1HTT
SCHEMBL15275584 0.85 KDM4E (0.36) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL18020890 0.85 KDM4E (0.42) CDK4CCND1CCNB2CCNE2CDK1
SCHEMBL23119059 0.85 KDM4E (0.41) HTR5A
SCHEMBL22172829 0.85 KDM4E (0.41) HTR5A
SCHEMBL22172808 0.85 KDM4E (0.41) HTR5A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115207230-A Light emitting element 三星显示有限公司 2022-10-18 — — CN disclosed
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