SCHEMBL2861043

SCHEMBL2861043

CNCCN(C)c1nccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
HTR7 P34969 1/20 0.39
CARM1 Q86X55 4/20 0.38
PRMT1 Q99873 4/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ADRB2 P07550 1/20 0.37
PRMT3 O60678 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
FFAR2 O15552 1/20 0.34
CACNA2D1 P54289 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HDAC1 Q13547 2/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NOS1 P29475 1/20 0.30

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
SCHEMBL4698788 0.90 PPARG (0.38) PPARGHTR7CARM1PRMT1SCN1A
SCHEMBL4723832 0.79 HTR7 (0.42) PPARGHTR7SCN1ASCN2ASCN3A
SCHEMBL2858049 0.78 HTR7 (0.41) PPARGHTR7CARM1PRMT1SCN1A
SCHEMBL3022750 0.78 POLB (0.44) PPARGHTR7SCN1ASCN2ASCN3A
SCHEMBL4724796 0.76 PPARG (0.40) PPARGHTR7SCN1ASCN2ASCN3A
SCHEMBL11448694 0.76 ALDH1A1 (0.36) PPARGHTR7SCN1ASCN2ASCN3A
SCHEMBL8199403 0.75 PPARG (0.47) PPARGHTR7SCN1ASCN2ASCN3A
SCHEMBL173416 0.75
SCHEMBL14139454 0.73 HTR7 (0.43) PPARGHTR7SCN1ASCN2ASCN3A
SCHEMBL8980786 0.72

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