SCHEMBL27447202

SCHEMBL27447202

CNC(=N[N+](=O)[O-])N(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 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
SCHEMBL14344840 0.77 LMNA (0.35)
SCHEMBL27339711 0.76 KMT2A (0.32) ALDH1A1
SCHEMBL18665155 0.71 MAPT (0.36) ALDH1A1
SCHEMBL27562958 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL3226475 0.70
SCHEMBL4209002 0.68 ALDH1A1 (0.31) ALDH1A1TP53
SCHEMBL19161162 0.68 NPC1 (0.32) ALDH1A1
SCHEMBL8586131 0.67
SCHEMBL8932212 0.67
SCHEMBL422869 0.67

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
CN-1060615-C Guanidine derivatives, their production and insecticides TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-01-17 CN disclosed
CN-1245854-A Processed timber SUMITOMO CHEMICAL CO (JP) 2000-03-01 CN disclosed