SCHEMBL4894844

SCHEMBL4894844

CCCCCN(CCCCC)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
TLR8 Q9NR97 2/20 0.36
HTR7 P34969 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FBP1 P09467 1/20 0.34
HDAC1 Q13547 2/20 0.34
PLA2G4A P47712 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
DNM1 Q05193 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NOS1 P29475 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4722034 0.94 SCN1A (0.42) SCN1ASCN2ASCN3ATLR8HTR7
SCHEMBL4723360 0.91 SCN1A (0.40) SCN1ASCN2ASCN3ATLR8HTR7
SCHEMBL4723376 0.87 SCN1A (0.40) SCN1ASCN2ASCN3ATLR8HTR7
SCHEMBL4724814 0.86 SCN1A (0.44) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL30514164 0.84 SCN1A (0.38) SCN1ASCN2ASCN3ATLR8HTR7
Hydrochloric Acid SCHEMBL28694374 0.81 HDAC1 (0.37) SCN1ASCN2ASCN3ATLR8L3MBTL1
SCHEMBL10707298 0.81 TLR8 (0.37) SCN1ASCN2ASCN3ATLR8HTR7
SCHEMBL4720415 0.79 SCN1A (0.42) SCN1ASCN2ASCN3AHTR7L3MBTL1
SCHEMBL4722623 0.78 SCN1A (0.43) SCN1ASCN2ASCN3AHTR7FBP1
SCHEMBL4724796 0.78 PPARG (0.40) SCN1ASCN2ASCN3ATLR8HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104254534-B Modulators of HEC1 activity and methods thereof 泰纬生命科技股份有限公司 2017-07-14 CN disclosed
US-7357989-B2 Di(het)arylaminothiazole derivatives and their use in organic light-emitting diodes(OLEDs) and organic photovoltaic components OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2008-04-15 US disclosed
US-20040028943-A1 Di(het)arylaminothiazole derivatives and their use in organic light-emitting diodes(oleds) and organic photovoltaic components OSRAM OLED GMBH (DE) 2004-02-12 US disclosed