SCHEMBL6935310

SCHEMBL6935310

CN(C)C(=S)Oc1ccc(CC#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.38
RAB9A P51151 3/20 0.36
SLC5A2 P31639 1/20 0.36
FLT3 P36888 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.32
NR1H2 P55055 1/20 0.32

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
SCHEMBL10626849 0.77 KMT2A (0.46) KMT2APKMRAB9AFLT3ALDH1A1
SCHEMBL2581486 0.77 ALDH1A1 (0.42) RAB9AALDH1A1
SCHEMBL12020270 0.75 LTA4H (0.52) SLC5A2L3MBTL1LMNAHTT
SCHEMBL3932090 0.74 KMT2A (0.52) KMT2APKMALDH1A1MEN1SMN1; SMN2
SCHEMBL6788776 0.73 ALDH1A1 (0.49) ALDH1A1THRB
SCHEMBL6540729 0.73 KDM4E (0.45) RAB9AALDH1A1GAALMNAHTT
SCHEMBL1170755 0.71 MAOA (0.42) THRB
SCHEMBL377282 0.71 LIPE (0.51) KMT2ARAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5155573 0.71 RAB9A (0.43) KMT2APKMRAB9ASLC5A2ALDH1A1
SCHEMBL9491553 0.70 HRH3 (0.41) KMT2APKMFLT3ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0574906-B1 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO (JP) 2001-08-22 EP disclosed
US-5380724-A Inhibitors of lipid peroxidation GYOGYSZERKUTATO INTEZET KFT (HU) 1995-01-10 US disclosed
EP-0574906-A2 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-12-22 EP disclosed