SCHEMBL9505880

SCHEMBL9505880

NN(CCO)C1=NCCN1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
ALDH1A1 P00352 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
Sulfuric Acid SCHEMBL9290874 0.91 RAD52 (0.40) APOBEC3AAPOBEC3GALDH1A1
SCHEMBL9290853 0.89 NOS3 (0.41) APOBEC3AAPOBEC3G
SCHEMBL9290849 0.87 NOS3 (0.35)
SCHEMBL14285754 0.77
SCHEMBL11297570 0.71 ADRA2A (0.34) ALDH1A1
SCHEMBL9290772 0.69
SCHEMBL2988656 0.67
SCHEMBL9290756 0.67
Iodide SCHEMBL11167054 0.66
SCHEMBL9290751 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327919-B1 METHOD AND AGENTS FOR PREVENTING STAINING OF TEETH THE ROCKEFELLER UNIVERSITY (US) 1993-09-15 EP claimed
US-5128122-A Nitrogen compound THE ROCKEFELLER UNIVERSITY (US) 1992-07-07 US claimed