SCHEMBL5576974

SCHEMBL5576974

O=C=Nc1ccccc1C(N=C=O)(N=C=O)N=C=O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.45
▸ TRPA1 O75762 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 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
SCHEMBL27670739 0.83 CYP3A4 (0.30) CYP3A4
SCHEMBL17966617 0.81 CYP3A4 (0.42) CYP3A4TRPA1
SCHEMBL6704455 0.81 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL25209991 0.78 CYP3A4 (0.40) CYP3A4
SCHEMBL9181823 0.78 CYP3A4 (0.40) CYP3A4
SCHEMBL10624633 0.78 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL31318368 0.78 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL29648814 0.78 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1TDP1
SCHEMBL1769086 0.78 CYP3A4 (0.47) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL6544263 0.78 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1

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
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