SCHEMBL28495474

SCHEMBL28495474

c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3N(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ PTBP1 P26599 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GALK1 P51570 1/20 0.33

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
SCHEMBL3949888 0.94 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL23079585 0.92 BACE1 (0.34) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL15038525 0.91 MGLL (0.36) ALDH1A1MAPTL3MBTL1MEN1APAF1
SCHEMBL19998676 0.90 MAPT (0.36) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL16385320 0.89 L3MBTL1 (0.36) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL15038522 0.88 BACE1 (0.37) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL27553485 0.88 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL28548548 0.88 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL733459 0.87 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2
SCHEMBL29511964 0.87 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1KDM4ECYP1A2

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
CN-111925314-A Carbazole and anthracene-based blue host material capable of emitting light from host 大同煤矿集团有限责任公司 2020-11-13 — — CN disclosed
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