SCHEMBL17539787

SCHEMBL17539787

c1cc(-c2nc(-c3ccc(-c4cccc5ccccc45)cc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL24104963 0.99 KDM4E (0.44) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL24152448 0.96 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL24152058 0.95 CA12 (0.44) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL26451237 0.94 CA12 (0.39) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL22175186 0.94 CA12 (0.40) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL24152490 0.93 KDM4E (0.39) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL15458551 0.92 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL15458377 0.92 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL15458448 0.92 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL15458469 0.92 KDM4E (0.41) KDM4EATML3MBTL1ALDH1A1MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180123054-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-03 — — US disclosed
US-20180123054-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2018-05-03 — — US disclosed
US-9899606-B2 Composition for organic electroluminescent element, organic electroluminescent element, display and lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-20 — — US disclosed
US-9899606-B2 Composition for organic electroluminescent element, organic electroluminescent element, display and lighting MITSUBISHI CHEMICAL CORPORATION (JP) 2018-02-20 — — US disclosed
US-20160043325-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-11 — — US disclosed
US-20160043325-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY AND LIGHTING MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-11 — — US disclosed
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