SCHEMBL2046496

SCHEMBL2046496

CCCCC1CC=CC=N1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.34
NOS2 P35228 5/20 0.34
NOS3 P29474 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL1101239 0.94 ALDH1A1 (0.36) NOS1NOS2
SCHEMBL18322504 0.79
SCHEMBL2754686 0.79
SCHEMBL10771256 0.72
SCHEMBL11433457 0.69 NOS1 (0.35) NOS1NOS2NOS3CYP1A2
SCHEMBL11433459 0.69 NOS1 (0.35) NOS1NOS2NOS3CYP1A2
SCHEMBL7637155 0.67 CYP1A2 (0.46) CYP1A2
SCHEMBL11297718 0.67 ALDH1A1 (0.36) NOS1NOS2
SCHEMBL11605183 0.67 ALDH1A1 (0.36) NOS1NOS2
SCHEMBL11426867 0.67 ALDH1A1 (0.36) NOS1NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956143-B1 Toughened two-part adhesive compositions demonstrating improved impact and/or peel strengths when cured HENKEL CORPORATION (US) 2011-06-07 US disclosed