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Sugi Predict / Compounds / SCHEMBL21390625

SCHEMBL21390625

SCHEMBL21390625

C=Cc1ccc2c(c1)c1cc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)c1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TSPO P30536 1/20 0.31
▸ PTGES O14684 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPY5R Q15761 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
SCHEMBL21390581 0.96 KDM4E (0.31) KDM4EATML3MBTL1TSPOPTGES
SCHEMBL21390598 0.95 KDM4E (0.38) KDM4EATML3MBTL1TSPOPTGES
SCHEMBL21390582 0.95 TSPO (0.34) KDM4EL3MBTL1TSPOPTGESMEN1
SCHEMBL14405609 0.92 PTGES (0.32) KDM4EATML3MBTL1PTGESMEN1
SCHEMBL14748591 0.90 KDM4E (0.38) KDM4EATML3MBTL1TSPOPTGES
SCHEMBL21390624 0.87 PTGES (0.33) TSPOPTGES
SCHEMBL14748566 0.87 KDM4E (0.36) KDM4EATML3MBTL1TSPOPTGES
SCHEMBL14748581 0.87 KDM4E (0.36) KDM4EATML3MBTL1TSPOPTGES
SCHEMBL21390589 0.86 KDM4E (0.32) KDM4EATML3MBTL1
SCHEMBL15459663 0.86 KDM4E (0.38) KDM4EATML3MBTL1TSPOPTGES

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
US-20190292309-A1 HIGH POLYMER, MIXTURE CONTAINING SAME, COMPOSITION, ORGANIC ELECTRONIC COMPONENT, AND MONOMER FOR POLYMERIZATION GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-09-26 — — US disclosed