SCHEMBL22915927

SCHEMBL22915927

c1ccc(C2=NC(c3cccc(-n4c5ccccc5c5c6c7ccccc7n(-c7cccc(-n8c9ccccc9c9ccccc98)c7)c6ccc54)c3)NC(c3ccccc3)N2)cc1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ P2RX7 Q99572 2/20 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
SCHEMBL14979439 0.92 KDM4E (0.35) KDM4EATML3MBTL1P2RX7
SCHEMBL22915929 0.91 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL15685744 0.90 KDM4E (0.37) KDM4EATML3MBTL1P2RX7
SCHEMBL19074802 0.89 KDM4E (0.38) KDM4EATML3MBTL1P2RX7
SCHEMBL15685739 0.88 KDM4E (0.35) KDM4EATML3MBTL1P2RX7
SCHEMBL18560837 0.88 KDM4E (0.35) KDM4EATML3MBTL1P2RX7
SCHEMBL18619156 0.88 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL15604851 0.87 KDM4E (0.39) KDM4EATML3MBTL1P2RX7
SCHEMBL19070890 0.86 KDM4E (0.37) KDM4EATML3MBTL1P2RX7
SCHEMBL19637638 0.86 KDM4E (0.34) KDM4EATML3MBTL1P2RX7

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-3770985-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2021-01-27 — — EP disclosed
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