SCHEMBL13745569

SCHEMBL13745569

CCn1c(NCC[N+]2(C)CCOCC2)c(N)c(=O)n1CC

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TERT O14746 6/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 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
SCHEMBL13745932 0.93 HPGD (0.31) TERT
SCHEMBL13746323 0.88
SCHEMBL13746232 0.87
SCHEMBL4195354 0.81 BBOX1 (0.33) KMT2A
SCHEMBL13745338 0.80 LMNA (0.33) KMT2A
SCHEMBL13745306 0.79 TERT (0.31) TERTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL944239 0.73
SCHEMBL13745728 0.72 HPGD (0.33)
SCHEMBL13745682 0.69
SCHEMBL13745856 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009098257-A1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING AT LEAST ONE CATIONIC DIAMINO-N,N-DIHYDROPYRAZOLONE DERIVATIVE L'OREAL (FR) 2009-08-13 WO disclosed