SCHEMBL13746162

SCHEMBL13746162

C[N+]1(CCCNc2c(N)c(=O)n3n2CCC3)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
BBOX1 O75936 2/20 0.32
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL13745297 0.99 BBOX1 (0.33) KMT2ALMNABBOX1
SCHEMBL13746274 0.92 KMT2A (0.32) KMT2A
SCHEMBL13745665 0.91 KMT2A (0.30) KMT2A
SCHEMBL13745728 0.89 HPGD (0.33)
SCHEMBL13745306 0.81 TERT (0.31) KMT2A
SCHEMBL13745338 0.80 LMNA (0.33) KMT2ALMNABBOX1APOBEC3AAPOBEC3G
SCHEMBL4195354 0.78 BBOX1 (0.33) KMT2ALMNABBOX1
SCHEMBL13745452 0.76 HRH3 (0.34) KMT2ALMNA
SCHEMBL180821 0.73 HRH4 (0.31)
SCHEMBL180654 0.73

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