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Sugi Predict / Compounds / SCHEMBL19021995

SCHEMBL19021995

SCHEMBL19021995

c1ccc(C2=NC(c3ccccc3)NC(c3cccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)c3)N2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HDAC4 P56524 1/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ P2RX7 Q99572 2/20 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
SCHEMBL19070890 0.97 KDM4E (0.37) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL19637638 0.95 KDM4E (0.34) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL15685744 0.93 KDM4E (0.37) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL18253896 0.92 KDM4E (0.38) KDM4EATML3MBTL1HDAC4P2RX7
SCHEMBL20077764 0.91 KDM4E (0.34) KDM4EATML3MBTL1HDAC4
SCHEMBL16631087 0.91 KDM4E (0.37) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL15685739 0.91 KDM4E (0.35) KDM4EATML3MBTL1HDAC4P2RX7
SCHEMBL18933724 0.90 KDM4E (0.33) KDM4EATML3MBTL1HDAC4
SCHEMBL15791570 0.90 HDAC4 (0.38) KDM4EATML3MBTL1HDAC4PTGER4
SCHEMBL15583077 0.90 HDAC4 (0.38) KDM4EATML3MBTL1HDAC4PTGER4

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-2017105040-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-22 — — WO disclosed
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