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SCHEMBL24716540

SCHEMBL24716540

c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)oc4cc(-c6cccc(-c7ccc(-c8nc(-c9ccc%10c(c9)oc9ccccc9%10)nc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%109)n8)cc7)c6)ccc45)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MMP12 P39900 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ PLA2G2A P14555 3/20 0.34
▸ PLA2G4A P47712 3/20 0.34
▸ HCRTR1 O43613 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PLA2G10 O15496 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL23598655 0.99 KDM4E (0.35) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL26785979 0.99 KDM4E (0.35) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL19769768 0.99 ATM (0.35) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL23598480 0.98 KDM4E (0.36) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL23598464 0.98 KDM4E (0.36) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL25965244 0.98 KDM4E (0.36) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL27070305 0.98 ATM (0.36) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL27070735 0.97 MMP12 (0.34) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL24990407 0.97 MMP12 (0.34) ATMKDM4EL3MBTL1MMP12MMP13
SCHEMBL22049198 0.97 KDM4E (0.37) ATMKDM4EL3MBTL1MMP12MMP13

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-2022255243-A1 DEUTERIDE AND ORGANIC ELECTROLUMINESCENT ELEMENT 日鉄ケミカル＆マテリアル株式会社 2022-12-08 — — WO disclosed