SCHEMBL11811366

SCHEMBL11811366

CCNc1nc(NC(C)C)nc(N2CCNCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.45
HRH1 P35367 1/20 0.45
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43

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
SCHEMBL9741920 0.89 HRH1 (0.55) KMT2ALMNASMN1; SMN2NPSR1POLB
SCHEMBL9913696 0.78 MEN1 (0.76) KMT2AMEN1LMNASMN1; SMN2NPSR1
SCHEMBL11145527 0.78 LMNA (0.65) KMT2AMEN1LMNASMN1; SMN2NPSR1
SCHEMBL11452149 0.78 GAA (0.66) KMT2AMEN1LMNANPSR1POLB
SCHEMBL7625308 0.77 LMNA (0.68) KMT2AMEN1LMNASMN1; SMN2NPSR1
SCHEMBL8611070 0.76 MEN1 (0.79) KMT2AMEN1LMNASMN1; SMN2NPSR1
SCHEMBL9913722 0.75 KMT2A (0.55) KMT2AMEN1LMNASMN1; SMN2NPSR1
SCHEMBL11564141 0.74 MAPK1 (0.54) KMT2AMEN1LMNASMN1; SMN2NPSR1
SCHEMBL13784260 0.72 MEN1 (0.68) KMT2AMEN1LMNASMN1; SMN2NPSR1
SCHEMBL13208246 0.71 GAA (0.58) KMT2AMEN1LMNANPSR1POLB

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-3988292-A A TRIAZINE DERIVATIVE TEIJIN LIMITED (JA) 1976-10-26 US disclosed