SCHEMBL8599872

SCHEMBL8599872

CCNc1cc(N(C)C)nc(N)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.36
DNM2 P50570 1/20 0.33
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6404443 0.88 DNM2 (0.37) NUDT1DNM2
SCHEMBL7518385 0.85 DNM2 (0.44) NUDT1DNM2L3MBTL1
SCHEMBL6764398 0.83 DNM2 (0.33) NUDT1DNM2
SCHEMBL8598479 0.78 NUDT1 (0.36) NUDT1
SCHEMBL8599188 0.78 KMT2A (0.33) CYP2C19
SCHEMBL7633778 0.75 PGK1 (0.36)
SCHEMBL7635304 0.74 NPC1 (0.36)
SCHEMBL4653754 0.73 TSHR (0.47) NUDT1
SCHEMBL6398903 0.73 TLR8 (0.38) DNM2L3MBTL1
SCHEMBL7633102 0.72 ADORA3 (0.36) GAAL3MBTL1

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-5772990-A Composition for slowing down the loss of hair based on pyrimidine N-oxides triaminosubstituted or their sulfoconjugated L'OREAL (FR) 1998-06-30 US disclosed