SCHEMBL16788558

SCHEMBL16788558

COCCOCCN(CCOC)c1ccc(/N=N/c2sc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CA2 P00918 1/20 0.33
VCAM1 P19320 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
PTBP1 P26599 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31

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
SCHEMBL15693775 0.83 MMP14 (0.35) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL1098887 0.81 ALDH1A1 (0.44) MAPTL3MBTL1VCAM1KDM4EMEN1
SCHEMBL1098885 0.81 ALDH1A1 (0.44) MAPTL3MBTL1VCAM1KDM4EMEN1
SCHEMBL10119044 0.80 MMP14 (0.33) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL18211003 0.77 MMP14 (0.32) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL12844571 0.77 MAPT (0.43) MAPTCA2KDM4EMEN1ALDH1A1
SCHEMBL12776704 0.76 MAPT (0.37) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL2070679 0.76 MMP14 (0.45) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL2070680 0.76 MMP14 (0.45) MAPTL3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL14438699 0.75 MMP14 (0.40) MAPTL3MBTL1CA2VCAM1KDM4E

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-9249379-B2 Liquid laundry detergent CONOPCO, INC. (US) 2016-02-02 US disclosed
US-20150376555-A1 LAUNDRY DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY 2015-12-31 US disclosed
US-20150159121-A1 LIQUID LAUNDRY DETERGENT CONOPCO, INC., D/B/A UNILEVER 2015-06-11 US disclosed