SCHEMBL3973752

SCHEMBL3973752

CN(C)c1ccc(N(CCO)C(N)=S)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRA2A P08913 3/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
TSHR P16473 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOA P21397 1/20 0.39
NOS1 P29475 3/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TP53 P04637 1/20 0.39
NOS3 P29474 2/20 0.37
NOS2 P35228 2/20 0.37
SLC2A1 P11166 1/20 0.35

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
SCHEMBL3972855 0.82 SMN1; SMN2 (0.47) ALDH1A1KMT2ASMN1; SMN2MAOAHPGD
SCHEMBL3971781 0.82 ALDH1A1 (0.46) ALDH1A1GAAMAPTKMT2ATSHR
SCHEMBL4096326 0.81 POLB (0.36) ALDH1A1SMN1; SMN2TSHRNOS1MAPK1
SCHEMBL11816669 0.81 ALDH1A1 (0.52) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL3973730 0.78 ADRA2A (0.46) ALDH1A1GAAMAPTSMN1; SMN2ADRA2A
SCHEMBL3969996 0.77 MLYCD (0.43) ALDH1A1KMT2AALOX15NOS1CYP3A4
SCHEMBL4087920 0.77 MEN1 (0.39) KMT2ANOS1NOS3
SCHEMBL3974959 0.77 LMNA (0.43) ALDH1A1SMN1; SMN2HSD17B10HPGDGRIN2D
SCHEMBL3968468 0.74 MAPK1 (0.40) ALDH1A1GAAMAPTKMT2ASMN1; SMN2
SCHEMBL3974584 0.74 MAPT (0.41) ALDH1A1GAAMAPTSMN1; SMN2NOS1

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-2016061-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE Glaxo Group Limited (GB) 2009-01-21 EP disclosed
WO-2007122241-A1 COMPOUNDS WHICH POTENTIATE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-11-01 WO disclosed