SCHEMBL3842934

SCHEMBL3842934

CCCCCCC(NCCCOc1ccc(SC(C)(C)C(=O)OCC)cc1)c1nn(C)c(=O)n(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.38
MAPK14 Q16539 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALOX5 P09917 2/20 0.33
HRH2 P25021 3/20 0.33
HRH1 P35367 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
PTGES O14684 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
SMPD1 P17405 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
SCHEMBL3840686 0.89 MAPK1 (0.34) SLC2A1L3MBTL1SMN1; SMN2MAPK1PPARG
SCHEMBL3842937 0.79 LTA4H (0.36) MAPK14SMN1; SMN2LMNAHTTRAB9A
SCHEMBL3845612 0.78 PPARA (0.42) TSHRPPARGPPARA
SCHEMBL3285973 0.78 MAPK14 (0.36) MAPK14L3MBTL1ATMNPSR1ALOX5
SCHEMBL3286654 0.78 MAPK14 (0.38) MAPK14L3MBTL1NPSR1HRH2HRH1
SCHEMBL3284982 0.76 SMPD1 (0.38) MAPK14L3MBTL1ATMNPSR1ALOX5
SCHEMBL3841065 0.72 PPARA (0.45) PPARGPPARA
SCHEMBL3844501 0.70 KDM4E (0.35) SMN1; SMN2MAPK1PPARGPPARA
SCHEMBL3844828 0.69 PPARG (0.36) MAPK14L3MBTL1NPSR1ALOX5SMN1; SMN2
SCHEMBL3291240 0.69 PPARA (0.35) PPARGPPARATHRATHRBSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP claimed