SCHEMBL13745452

SCHEMBL13745452

CN(C)CCCNc1c(N)c(=O)n2n1CCC2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
RAD52 P43351 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPT P10636 3/20 0.30
NPSR1 Q6W5P4 2/20 0.30
LMNA P02545 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL180821 0.80 HRH4 (0.31)
SCHEMBL13745297 0.77 BBOX1 (0.33) KMT2ALMNA
SCHEMBL180654 0.77
SCHEMBL13746162 0.76 KMT2A (0.33) KMT2ALMNA
Hydrochloric Acid SCHEMBL3128877 0.75
Hydrochloric Acid SCHEMBL3857092 0.75
SCHEMBL13745606 0.74 ALDH1A1 (0.34) HRH3SMN1; SMN2KMT2ARAD52TDP1
SCHEMBL13745665 0.73 KMT2A (0.30) KMT2A
SCHEMBL13746274 0.72 KMT2A (0.32) KMT2A
SCHEMBL946041 0.71 MAPT (0.32) MAPT

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