SCHEMBL13645513

SCHEMBL13645513

Brc1cc(-c2ccc(-n3c(-c4ccccc4)cc4ccccc43)cc2)cc(-c2ccc(-n3c(-c4ccccc4)cc4ccccc43)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.51
▸ APP P05067 1/20 0.49
▸ KMT2A Q03164 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ACLY P53396 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PLAUR Q03405 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KCNH2 Q12809 2/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MDM2 Q00987 2/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35

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
SCHEMBL15138181 0.91 HAO1 (0.53) HAO1APPKMT2AL3MBTL1ACLY
SCHEMBL3867353 0.89 HAO1 (0.59) HAO1APPKMT2AL3MBTL1ALDH1A1
SCHEMBL3870714 0.88 HAO1 (0.56) HAO1APPKMT2AL3MBTL1ACLY
SCHEMBL13483660 0.86 HAO1 (0.54) HAO1APPKMT2AL3MBTL1ALDH1A1
SCHEMBL13425022 0.86 HAO1 (0.62) HAO1APPKMT2AL3MBTL1ALDH1A1
SCHEMBL13645511 0.85 HAO1 (0.51) HAO1APPKMT2AL3MBTL1ALDH1A1
SCHEMBL3861466 0.85 HAO1 (0.51) HAO1APPKMT2AL3MBTL1ALDH1A1
SCHEMBL28281366 0.84 HAO1 (0.49) HAO1APPKMT2AL3MBTL1ACLY
SCHEMBL12980354 0.84 HAO1 (0.56) HAO1APPKMT2AL3MBTL1ALDH1A1
SCHEMBL3861561 0.84 KMT2A (0.50) HAO1APPKMT2AL3MBTL1ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7597955-B2 Light-emitting device, organic compound and display CANON KABUSHIKI KAISHA (JP) 2009-10-06 — — US disclosed
US-7597955-B2 Light-emitting device, organic compound and display CANON KABUSHIKI KAISHA (JP) 2009-10-06 — — US disclosed
US-20070057250-A1 Light-emitting device, organic compound and display CANON KABUSHIKI KAISHA (JP) 2007-03-15 — — US disclosed
US-20070057250-A1 Light-emitting device, organic compound and display CANON KABUSHIKI KAISHA (JP) 2007-03-15 — — US disclosed
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