SCHEMBL1879164

SCHEMBL1879164

COc1ccc(CCNC(C)=O)cc1NC(=O)C(=NNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1OC)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 4/20 0.41
NQO2 P16083 5/20 0.40
MTNR1A P48039 5/20 0.40
MTNR1B P49286 5/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL1879163 1.00 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL1884566 0.85 MEN1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL1884565 0.85 MEN1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL12638044 0.85 MEN1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL1880162 0.74 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL12638062 0.74 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL1880156 0.74 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1LMNAHTTMAPT
SCHEMBL1880932 0.73 NPC1 (0.62) CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL1880120 0.68 MEN1 (0.60) SMN1; SMN2ALDH1A1MTNR1AMTNR1BKMT2A
SCHEMBL20718790 0.67 MAPT (0.56) CYP1A2CYP3A4CYP2C19SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207860-A1 Inkjet Ink Compositions Comprising Polymeric Dispersants Having Attached Chromophore Groups CABOT CORPORATION (US) 2011-08-25 US disclosed
US-7947761-B2 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION (US) 2011-05-24 US disclosed
US-20070179214-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179215-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179213-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed