SCHEMBL24154174

SCHEMBL24154174

c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TNF P01375 1/20 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
SCHEMBL17943382 0.95 KDM4E (0.46) CA12CA1CA2CA9KDM4E
SCHEMBL20290947 0.94 KDM4E (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL19276001 0.94 KDM4E (0.47) CA12CA1CA2CA9KDM4E
SCHEMBL17655906 0.93 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL14749052 0.93 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL17754461 0.93 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL14749024 0.93 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL24152448 0.93 KDM4E (0.41) CA12CA1CA2CA9KDM4E
SCHEMBL17943365 0.92 KDM4E (0.44) CA12CA1CA2CA9KDM4E
SCHEMBL15458551 0.91 KDM4E (0.41) CA12CA1CA2CA9KDM4E

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-2021261962-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2021-12-30 — — WO disclosed
WO-2021261907-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-12-30 — — WO disclosed
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