SCHEMBL16323802

SCHEMBL16323802

COc1ccc([N+](=O)[O-])cc1N=Nc1c(O)c(C(=O)Nc2cccc([N+](=O)[O-])c2)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ LMNA P02545 5/20 0.55
▸ MAPT P10636 5/20 0.55
▸ POLB P06746 3/20 0.55
▸ TNF P01375 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ NOD1 Q9Y239 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HTT P42858 3/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ POLA1 P09884 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ SETD7 Q8WTS6 1/20 0.46
▸ ANO1 Q5XXA6 1/20 0.46
▸ ANO2 Q9NQ90 1/20 0.46
▸ NQO2 P16083 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ KCNMA1 Q12791 2/20 0.46

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
SCHEMBL16323799 1.00 MEN1 (0.55) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL29351839 1.00 MEN1 (0.55) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL31213807 0.93 MEN1 (0.51) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL29352536 0.93 MEN1 (0.51) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL16323536 0.93 MEN1 (0.51) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL16323535 0.93 MEN1 (0.51) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL20328865 0.92 MEN1 (0.50) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL20348454 0.92 MEN1 (0.50) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL20348452 0.91 MEN1 (0.49) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL14363483 0.91 MEN1 (0.51) MEN1KMT2ALMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022383-A1 MAGENTA INKS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2017-01-26 — — US disclosed
US-20170022383-A1 MAGENTA INKS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2017-01-26 — — US disclosed
WO-2014202216-A1 RESIN IMPREGNATED COATED ARTICLE WITH IMPROVED AESTHETIC PROPERTIES SURFACTOR GERMANY GMBH (DE) 2014-12-24 — — WO disclosed
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