SCHEMBL5505029

SCHEMBL5505029

Cc1cc(NC(=O)C(C)(C)N)ccc1N1CCN(C)CC1=S

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.41
NPY2R P49146 3/20 0.39
F10 P00742 2/20 0.39
CNR2 P34972 3/20 0.35
HTR1D P28221 2/20 0.35
HTR1A P08908 1/20 0.35
HTR1B P28222 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
KDR P35968 1/20 0.35
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5510391 0.88 F10 (0.46) WDR5NPY2RF10CNR2HTR1D
SCHEMBL5506228 0.84 NPY2R (0.41) WDR5NPY2RF10CNR2ALOX15
SCHEMBL5511183 0.83 NPC1 (0.41) WDR5NPY2RF10CNR2CNR1
SCHEMBL5514263 0.81 F10 (0.53) NPY2RF10CNR2CNR1
SCHEMBL4467642 0.80 F10 (0.54) F10ALOX15HSD17B10NPC1RAB9A
SCHEMBL4463968 0.75 F10 (0.53) F10ALOX15HSD17B10NPC1RAB9A
SCHEMBL5568419 0.74 NPY2R (0.42) WDR5NPY2RF10CNR2CNR1
SCHEMBL5506905 0.74 F10 (0.46) WDR5NPY2RF10CNR2CNR1
SCHEMBL5505524 0.74 F10 (0.40) WDR5NPY2RF10
SCHEMBL5511036 0.73 NPY2R (0.37) WDR5NPY2RF10HRH3NPC1

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-1747217-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-01-31 EP disclosed
WO-2005111029-A1 NOVEL SUBSTITUTED THIOPHENECARBOXAMIDES, THEIR PRODUCTION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed