SCHEMBL10042730

SCHEMBL10042730

C=C/C(=C\C=C(/N)n1c2ccccc2c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccc21)c1ccc(-c2ccc3oc4ccccc4c3c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 7/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL21266004 0.84 PTGER4 (0.33) PTGER4CHEK2KDM4ENPC1RAB9A
SCHEMBL16500883 0.82 TSPO (0.34) PTGER4KDM4EATML3MBTL1
SCHEMBL25964611 0.81 PTGER4 (0.34) PTGER4CHEK2
SCHEMBL20706816 0.80 KDM4E (0.51) PTGER4CHEK2KDM4EATML3MBTL1
SCHEMBL24811819 0.79 KDM4E (0.50) PTGER4CHEK2KDM4EATML3MBTL1
SCHEMBL20715025 0.79 KDM4E (0.50) PTGER4CHEK2KDM4EATML3MBTL1
SCHEMBL16804069 0.79 KDM4E (0.50) PTGER4CHEK2KDM4EATML3MBTL1
SCHEMBL17735773 0.79 KDM4E (0.50) PTGER4CHEK2KDM4EATML3MBTL1
SCHEMBL10331643 0.79 KDM4E (0.50) PTGER4CHEK2KDM4EATML3MBTL1
SCHEMBL12088734 0.79 KDM4E (0.50) PTGER4CHEK2KDM4EATML3MBTL1

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-2012087007-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2012-06-28 — — WO disclosed
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