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SCHEMBL21084441

SCHEMBL21084441

C1=CCCC(c2ccc(N(c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)=C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TSPO P30536 1/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ HDAC4 P56524 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ IL1R1 P14778 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL17150260 0.96 L3MBTL1 (0.39) L3MBTL1KDM4EATMTSPOPTGER4
SCHEMBL22780298 0.92 L3MBTL1 (0.41) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL4402012 0.92 — —
SCHEMBL12018557 0.91 KDM4E (0.36) L3MBTL1KDM4EATMHDAC4
SCHEMBL18854445 0.91 KDM4E (0.34) L3MBTL1KDM4EATMTSPOPTGER4
SCHEMBL21140392 0.90 KDM4E (0.38) L3MBTL1KDM4EATMTSPOPTGER4
SCHEMBL24050438 0.90 KDM4E (0.35) L3MBTL1KDM4EATMHDAC4
SCHEMBL19141628 0.90 KDM4E (0.35) L3MBTL1KDM4EATMHDAC4
SCHEMBL23154515 0.90 KDM4E (0.37) L3MBTL1KDM4EATMTSPOHDAC4
SCHEMBL22106607 0.90 TSPO (0.32) TSPO

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-3133661-B1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2019-06-05 — — EP disclosed
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