SCHEMBL23712271

SCHEMBL23712271

c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4)cc3)cc(-c3ccccn3)n2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ CCR1 P32246 3/20 0.46
▸ CCR5 P51681 3/20 0.46
▸ CCR8 P51685 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALPL P05186 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ ALPI P09923 1/20 0.46
▸ ALPG P10696 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SQOR Q9Y6N5 2/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ METAP1 P53582 2/20 0.39
▸ HIF1A Q16665 2/20 0.39

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
SCHEMBL26906408 1.00 KDM4E (0.46) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL23081976 0.92 HPGDS (0.41) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL24626223 0.92 HPGDS (0.41) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL19768331 0.91 KDM4E (0.38) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL17132520 0.91 KDM4E (0.38) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL23081873 0.90 HPGDS (0.41) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL11992266 0.87 CCR1 (0.41) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL18697687 0.86 DHODH (0.41) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL23711899 0.85 KDM4E (0.42) KDM4ECCR1CCR5CCR8MAPK1
SCHEMBL17012378 0.85 CCR1 (0.35) KDM4ECCR1CCR5CCR8MAPK1

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
WO-2021152940-A1 COMPOUND, ORGANIC THIN-FILM LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND ILLUMINATION DEVICE 東レ株式会社 2021-08-05 — — WO disclosed
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