SCHEMBL28716562

SCHEMBL28716562

c1cc2ccc3ccc(-c4cnc5c(ccc6cc(-c7ccc8ccc9cccc%10ccc7c8c9%10)cnc65)c4)c4ccc(c1)c2c34

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ PARP1 P09874 3/20 0.38
▸ CCR1 P32246 2/20 0.38
▸ CCR5 P51681 2/20 0.38
▸ CCR8 P51685 2/20 0.38

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
SCHEMBL13045268 0.92 CYP1A2 (0.41) KDM4ECYP1A2ERBB2FYNMAOA
SCHEMBL14184273 0.86 CYP1A2 (0.42) KDM4ECYP1A2ERBB2FYNMAOA
SCHEMBL15497834 0.85 PDGFRB (0.51) CYP1A2ERBB2FYNMAOAACHE
SCHEMBL16335156 0.82 CYP1A2 (0.44) KDM4ECYP1A2ERBB2FYNMAOA
SCHEMBL29512050 0.82 CYP1A2 (0.44) KDM4ECYP1A2ERBB2FYNMAOA
SCHEMBL15497847 0.81 PDGFRB (0.54) CYP1A2PDGFRBPDGFRA
SCHEMBL28211576 0.81 CYP1A2 (0.55) KDM4ECYP1A2ERBB2FYNMAOA
SCHEMBL16161527 0.81 ALDH1A1 (0.41) KDM4ECYP1A2ERBB2FYNMAOA
SCHEMBL13045270 0.80 PDGFRB (0.36) KDM4ECYP1A2ERBB2FYNMAOA
SCHEMBL2961222 0.80 CYP1A2 (0.48) KDM4ECYP1A2ERBB2FYNMAOA

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
CN-114133406-A Conjugated organic complex of europium (III) and preparation method and application thereof 南京邮电大学 2022-03-04 — — CN claimed
CN-114133406-A Conjugated organic complex of europium (III) and preparation method and application thereof 南京邮电大学 2022-03-04 — — CN disclosed
CN-114133406-A Conjugated organic complex of europium (III) and preparation method and application thereof 南京邮电大学 2022-03-04 — — CN disclosed
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