SCHEMBL10057792

SCHEMBL10057792

NCCNC(=O)CCCCCCCCCCCCCCCCC(=O)NCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 2/20 0.51
FAAH O00519 4/20 0.50
DNM1 Q05193 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CASP2 P42575 1/20 0.45
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
PLG P00747 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A2 P23975 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL20710352 1.00 SLC6A5 (0.51) SLC6A5FAAHDNM1HDAC3HDAC1
SCHEMBL14198853 0.97 SLC6A5 (0.49) SLC6A5FAAHDNM1HDAC3HDAC1
SCHEMBL22289072 0.95 SLC6A5 (0.57) SLC6A5FAAHDNM1ALDH1A1MEN1
SCHEMBL16421586 0.95 SLC6A5 (0.57) SLC6A5FAAHDNM1ALDH1A1MEN1
SCHEMBL2197667 0.93 SLC6A5 (0.47) SLC6A5FAAHDNM1HDAC3HDAC1
SCHEMBL2195042 0.93 SLC6A5 (0.47) SLC6A5FAAHDNM1HDAC3HDAC1
SCHEMBL867731 0.91 LMNA (0.58) SLC6A5FAAHHDAC3HDAC1HDAC2
SCHEMBL11783132 0.91 GAA (0.47) SLC6A5FAAHDNM1ALDH1A1
SCHEMBL19218124 0.91 LMNA (0.58) SLC6A5FAAHHDAC3HDAC1HDAC2
SCHEMBL11142780 0.90 CA1 (0.47) SLC6A5FAAHHDAC3HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120021362-A1 Laser Imaging DATALASE LTD. (GB) 2012-01-26 US disclosed
WO-2010112940-A1 LASER IMAGING DATALASE LTD. (GB) 2010-10-07 WO disclosed