SCHEMBL6681364

SCHEMBL6681364

CCCCCCC(=O)C(=S)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
CES2 O00748 4/20 0.47
CES1 P23141 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 2/20 0.46
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAAA Q02083 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL8971856 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7908984 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8972353 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL12702680 0.80 ALDH1A1 (0.49) HTTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL8971899 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL474080 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8973343 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL2982115 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8972298 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8972793 0.80 L3MBTL1 (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 WO disclosed