SCHEMBL2858049

SCHEMBL2858049

CN(CCN)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
PPARG P37231 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
TSHR P16473 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NOS1 P29475 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CARM1 Q86X55 3/20 0.35
PRMT1 Q99873 3/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
PRKCI P41743 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
FFAR2 O15552 1/20 0.33
FBP1 P09467 2/20 0.32
GAA P10253 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 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
SCHEMBL4723832 0.82 HTR7 (0.42) HTR7PPARGSCN1ASCN2ASCN3A
SCHEMBL3022750 0.81 POLB (0.44) HTR7PPARGSCN1ASCN2ASCN3A
SCHEMBL4724796 0.79 PPARG (0.40) HTR7PPARGSCN1ASCN2ASCN3A
SCHEMBL2852646 0.78 SCN1A (0.40) HTR7SCN1ASCN2ASCN3ATSHR
SCHEMBL2861043 0.78 PPARG (0.39) HTR7PPARGSCN1ASCN2ASCN3A
SCHEMBL8199403 0.78 PPARG (0.47) HTR7PPARGSCN1ASCN2ASCN3A
SCHEMBL173416 0.78
SCHEMBL24743388 0.77 SCN1A (0.40) HTR7SCN1ASCN2ASCN3ATSHR
SCHEMBL14139454 0.76 HTR7 (0.43) HTR7PPARGSCN1ASCN2ASCN3A
SCHEMBL4698788 0.75 PPARG (0.38) HTR7PPARGSCN1ASCN2ASCN3A

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-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed