SCHEMBL5576975

SCHEMBL5576975

Cc1cc(N=C=O)c(N=C=O)c(N=C=O)c1N=C=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
TRPA1 O75762 1/20 0.47
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4306324 0.86 CYP3A4 (0.43) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3677882 0.85 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL4298726 0.85 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL3685073 0.85 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL10454805 0.84 CYP3A4 (0.41) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL23067652 0.83 CYP3A4 (0.41) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL7592953 0.81 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL2172972 0.81 CYP3A4 (0.46) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL1712846 0.81 CYP3A4 (0.47) CYP3A4TRPA1GABRA1GABRB2ALDH1A1
SCHEMBL407044 0.79 CYP3A4 (0.58) CYP3A4TRPA1GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070141723-A1 Immunohistochemistry staining controls LAB VISION CORPORATION 2007-06-21 US disclosed
US-20060127956-A1 Quality control for cytochemical assays LAB VISION CORPORATION 2006-06-15 US disclosed
US-7011940-B1 Quality control for cytochemical assays MEDICAL DISCOVERY PARTNERS LLC (US) 2006-03-14 US disclosed
US-6855490-B2 Method for attaching biological molecules to a glass surface MEDICAL DISCOVERY PARTNERS LLC (US) 2005-02-15 US disclosed
US-20030166261-A1 Quality control for cytochemical assays CYTOLOGIX CORPORATION 2003-09-04 US disclosed
EP-1169643-A2 QUALITY CONTROL FOR CYTOCHEMICAL ASSAYS Cytologix Corporation (US) 2002-01-09 EP disclosed
WO-2000062064-A2 QUALITY CONTROL FOR CYTOCHEMICAL ASSAYS CYTOLOGIX CORPORATION (US) 2000-10-19 WO disclosed