SCHEMBL9881365

SCHEMBL9881365

O=[N+]([O-])c1cc(N=Nc2ccc(O)cc2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NSD2 O96028 1/20 0.47
▸ MMP14 P50281 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ HSD17B10 Q99714 4/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ TDP1 Q9NUW8 4/20 0.44
▸ RECQL P46063 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL24026914 0.82 PRMT1 (0.50) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL17089135 0.81 MEN1 (0.68) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL12955146 0.80 TSHR (0.47) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL10492064 0.78 MEN1 (0.60) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL9625069 0.78 MEN1 (0.60) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL9881373 0.77 NSD2 (0.51) ALDH1A1MEN1MAPTKMT2ANSD2
SCHEMBL15298732 0.75 BRD4 (0.53) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL107959 0.75 CYP1A2 (0.63) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL107958 0.75 CYP1A2 (0.63) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL3188963 0.74 CYP1A2 (0.62) ALDH1A1MEN1MAPTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457957-B1 Azo dyes for paper dyeing KEMIRA OYJ (FI) 2017-08-09 — — EP disclosed
US-8734534-B2 Azo dyes KEMIRA OYJ (FI) 2014-05-27 — — US disclosed
US-8734534-B2 Azo dyes KEMIRA OYJ (FI) 2014-05-27 — — US disclosed
US-20130255007-A1 AZO DYES CHROMASCAPE, LLC 2013-10-03 — — US disclosed
US-20130255007-A1 AZO DYES CHROMASCAPE, LLC 2013-10-03 — — US disclosed
WO-2012072632-A1 AZO DYES KEMIRA OYJ (FI) 2012-06-07 — — WO disclosed
EP-2457957-A1 Azo dyes for paper dyeing Kemira Oyj (FI) 2012-05-30 — — EP disclosed
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