SCHEMBL28078978

SCHEMBL28078978

C1=Cc2cc3ccc(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ SRD5A2 P31213 2/20 0.50
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 4/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ VCAM1 P19320 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
Nitrobenzene SCHEMBL27922730 0.85 LMNA (0.50) POLBL3MBTL1LMNAMAPTALDH1A1
SCHEMBL28002967 0.85 MAPT (0.46) POLBMAPK1L3MBTL1LMNAMAPT
SCHEMBL27676452 0.82 NPC1 (0.48) POLBMAPK1GAAMAPTTDP1
P-Nitrophenol SCHEMBL29094955 0.81 NPBWR1 (0.50) POLBLMNAGAAMAPTTDP1
Benzophenone SCHEMBL28231509 0.78 POLB (0.82) POLBMAPK1SRD5A2CES2CES1
SCHEMBL229627 0.78 POLB (0.82) POLBMAPK1SRD5A2CES2CES1
SCHEMBL28451304 0.78 MAPT (0.41) POLBMAPK1L3MBTL1LMNAMAPT
SCHEMBL28448581 0.78 MAPT (0.41) POLBMAPK1L3MBTL1LMNAMAPT
SCHEMBL28461432 0.78 MAPT (0.41) POLBMAPK1L3MBTL1LMNAMAPT
SCHEMBL27762734 0.78 MAPT (0.41) POLBMAPK1L3MBTL1LMNAMAPT

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
CN-105778897-B PH sensitive fluorescence dyes and its preparation method and application 湖南大学 2017-12-26 — — CN claimed
CN-106905538-A A kind of zinc-containing metal organic framework materials and its preparation method and application 浙江省农业科学院 2017-06-30 — — CN claimed
CN-105778897-A PH sensitive fluorochrome and preparation method and application thereof 湖南大学 2016-07-20 — — CN claimed
CN-105778897-B PH sensitive fluorescence dyes and its preparation method and application 湖南大学 2017-12-26 — — CN disclosed
CN-106959279-A A kind of metal-organic framework materials of PCN 222 and its preparation method and application 浙江省农业科学院 2017-07-18 — — CN disclosed
CN-105778897-A PH sensitive fluorochrome and preparation method and application thereof 湖南大学 2016-07-20 — — CN disclosed
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