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SCHEMBL25979823

SCHEMBL25979823

C1=CC(c2ccc(-c3nc(-c4ccc5c(c4)oc4cc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)ccc45)nc(-c4cccc5ccccc45)n3)cc2)=CCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL25979822 0.89 KDM4E (0.33) KDM4EALDH1A1TP53SMN1; SMN2HSD17B10
SCHEMBL25853974 0.89 — —
SCHEMBL25853127 0.88 — —
SCHEMBL26779265 0.88 ALDH1A1 (0.40) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL26779282 0.88 ALDH1A1 (0.40) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL26779269 0.87 ALDH1A1 (0.39) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL25725128 0.85 — —
SCHEMBL25057645 0.85 — —
SCHEMBL25852475 0.84 — —
SCHEMBL25979947 0.84 ALDH1A1 (0.40) KDM4EALDH1A1TP53MAPTHPGD

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
EP-4227301-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2023-08-16 — — EP disclosed