SCHEMBL9356828

SCHEMBL9356828

Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)c(S(=O)(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.56
▸ PTGS2 P35354 5/20 0.51
▸ PTGS1 P23219 2/20 0.51
▸ CYP19A1 P11511 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ APP P05067 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ RAD51 Q06609 1/20 0.41
▸ SNCA P37840 1/20 0.40
▸ SENP3 Q9H4L4 1/20 0.39
▸ SENP2 Q9HC62 1/20 0.39
▸ SENP1 Q9P0U3 1/20 0.39

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
SCHEMBL9356837 1.00 NT5E (0.56) NT5EPTGS2PTGS1CYP19A1ALDH1A1
SCHEMBL8746878 0.92 PTGS2 (0.48) NT5EPTGS2PTGS1CYP19A1ALDH1A1
SCHEMBL8746877 0.92 PTGS2 (0.48) NT5EPTGS2PTGS1CYP19A1ALDH1A1
SCHEMBL1536241 0.91 NT5E (0.56) NT5EALDH1A1MAPTNPC1RAB9A
SCHEMBL1536243 0.91 NT5E (0.56) NT5EALDH1A1MAPTNPC1RAB9A
SCHEMBL29692725 0.91 NT5E (0.56) NT5EALDH1A1MAPTNPC1RAB9A
SCHEMBL2391190 0.89 NT5E (0.55) NT5EALDH1A1MAPTNPC1RAB9A
SCHEMBL7555155 0.89 NT5E (0.55) NT5EALDH1A1MAPTNPC1RAB9A
SCHEMBL6050520 0.89 NT5E (0.55) NT5EALDH1A1MAPTNPC1RAB9A
SCHEMBL15859262 0.89 NT5E (0.55) NT5EALDH1A1MAPTNPC1RAB9A

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
US-9023118-B2 Azo dyes KEMIRA OYJ (FI) 2015-05-05 — — US disclosed
US-20130269124-A1 AZO DYES CHROMASCAPE, LLC 2013-10-17 — — US disclosed
EP-0376032-B1 Stilbene dyes and films or sheets containing the same BAYER AG (DE) 1994-11-23 — — EP disclosed
US-5272259-A Stilbene dyestuffs and light-polarizing films or sheets containing stilbene BAYER AKTIENGESELLSCHAFT (DE) 1993-12-21 — — US disclosed
EP-0531569-A1 Manufacture of light-polarising films Agfa-Gevaert AG (DE) 1993-03-17 — — EP disclosed
EP-0376032-A2 Stilbene dyes and films or sheets containing the same BAYER AG (DE) 1990-07-04 — — EP disclosed
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