SCHEMBL21734479

SCHEMBL21734479

C1=CC(c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc2)=CCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ PTPN1 P18031 2/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ IL1R1 P14778 1/20 0.33
▸ MAPK8 P45983 2/20 0.32
▸ MAPK9 P45984 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 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
SCHEMBL23204249 0.91 KDM4E (0.41) L3MBTL1KDM4EATMPTPN1HDAC4
SCHEMBL19507831 0.88 KDM4E (0.38) L3MBTL1KDM4EATMPTPN1
SCHEMBL27470968 0.88 KDM4E (0.35) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL22185357 0.87 ATM (0.37) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL26626534 0.87 KDM4E (0.32) L3MBTL1KDM4EATM
SCHEMBL20392242 0.86 L3MBTL1 (0.46) L3MBTL1KDM4EATMPTPN1HDAC4
SCHEMBL19719514 0.84 L3MBTL1 (0.46) L3MBTL1KDM4EATMPTPN1KMT2A
SCHEMBL22457078 0.83 L3MBTL1 (0.49) L3MBTL1KDM4EATMPTPN1HDAC4
SCHEMBL23204246 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EATMPTPN1KMT2A
SCHEMBL24445267 0.82 L3MBTL1 (0.41) L3MBTL1KDM4EATMPTPN1HDAC4

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-2020036375-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2020-02-20 — — WO disclosed
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