SCHEMBL1880932

SCHEMBL1880932

COc1ccc(CCNC(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 1/20 0.59
MAPT P10636 3/20 0.57
MTNR1A P48039 4/20 0.57
MTNR1B P49286 4/20 0.57
NQO2 P16083 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL19451955 0.87 CYP1A2 (0.65) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL5913295 0.85 NPC1 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL29989715 0.85 NPC1 (0.57) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL31090163 0.83 SMN1; SMN2 (0.61) NPC1RAB9ACYP1A2CYP2C19ALDH1A1
SCHEMBL10782766 0.82 ALDH1A1 (0.60) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL12392824 0.82 MAPK1 (0.61) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL2224069 0.82 CA12 (0.73) ALDH1A1MAPTMTNR1AMTNR1BSMN1; SMN2
SCHEMBL3949693 0.81 ALDH1A1 (0.58) NPC1RAB9ACYP1A2CYP3A4CYP2C19
Water SCHEMBL11279885 0.80 CA12 (0.71) ALDH1A1MAPTMTNR1AMTNR1BSMN1; SMN2
SCHEMBL8867007 0.80 SMN1; SMN2 (0.67) NPC1RAB9ACYP1A2CYP3A4CYP2C19

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 17 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-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-7947761-B2 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION (US) 2011-05-24 US disclosed
US-7947761-B2 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION (US) 2011-05-24 US disclosed
EP-1981943-A1 INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS Cabot Corporation (US) 2008-10-22 EP disclosed
WO-2007089859-A1 INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS CABOT CORPORATION (US) 2007-08-09 WO disclosed
WO-2007089859-A1 INKJET INK COMPOSITIONS COMPRISING POLYMERIC DISPERSANTS HAVING ATTACHED CHROMOPHORE GROUPS CABOT CORPORATION (US) 2007-08-09 WO disclosed
US-20070179214-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
US-20070179213-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
US-20070179215-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 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-20070179215-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed
US-20070179214-A1 Inkjet ink compositions comprising polymeric dispersants having attached chromophore groups CABOT CORPORATION 2007-08-02 US disclosed