SCHEMBL113131

SCHEMBL113131

C=CCNc1cccc(N)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
HCAR3 P49019 1/20 0.44
KAT2B Q92831 2/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL8812743 0.83 HCAR3 (0.51) GSK3AGSK3BKMT2AATMHCAR3
SCHEMBL16831368 0.82 KAT2B (0.58) GSK3AGSK3BKMT2AATMHCAR3
SCHEMBL8597903 0.78 GSK3A (0.41) GSK3AGSK3BKMT2AATMHCAR3
SCHEMBL11807601 0.77 MAPT (0.35) GSK3AGSK3BKMT2AATMKAT2B
SCHEMBL9383147 0.77 KAT2B (0.49) GSK3AGSK3BKMT2AKAT2BMAPT
SCHEMBL27683777 0.77 ALDH1A1 (0.49) KMT2AATMKAT2BMAPTMEN1
SCHEMBL8603232 0.77 GSK3A (0.45) GSK3AGSK3BKMT2AATMHCAR3
SCHEMBL3375185 0.75 RRM2 (0.38) GSK3AGSK3BKMT2AHCAR3MAPT
SCHEMBL28069604 0.75 ALDH1A1 (0.41) KMT2AKAT2BMAPTMEN1L3MBTL1
SCHEMBL476574 0.75 MAPT (0.42) KMT2AMAPTMEN1L3MBTL1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed
EP-2200735-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF COLORING AGENTS FOR KERATINIC FIBERS Henkel AG & Co. KGaA (DE) 2010-06-30 EP disclosed
WO-2009053127-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF COLORING AGENTS FOR KERATINIC FIBERS HENKEL AG & CO. KGAA (DE) 2009-04-30 WO disclosed